USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 928 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 45 LYS NZ :NH3+ -175:sc= 1.3 (180deg=0) USER MOD Set 1.2: A 146 SER OG : rot -38:sc= 2.25 USER MOD Set 2.1: A 132 HIS : no HE2:sc= -4.23! C(o=-2.5!,f=-5.9!) USER MOD Set 2.2: A 135 THR OG1 : rot 170:sc= 1.75 USER MOD Set 3.1: A 101 SER OG : rot 161:sc= 0.277 USER MOD Set 3.2: A 103 LYS NZ :NH3+ -161:sc= -0.168 (180deg=-1.16!) USER MOD Set 4.1: A 78 THR OG1 : rot 169:sc= 2.77 USER MOD Set 4.2: A 81 LYS NZ :NH3+ -108:sc= 1.87 (180deg=1.15) USER MOD Set 5.1: A 72 ASN : amide:sc= -3.51! C(o=-4.9!,f=-7.7!) USER MOD Set 5.2: A 114 LYS NZ :NH3+ -144:sc= -1.36 (180deg=-0.368) USER MOD Set 6.1: A 67 HIS : +bothHN:sc= 0.352 K(o=0.84,f=-4.3!) USER MOD Set 6.2: A 111 THR OG1 : rot 160:sc= 0.489 USER MOD Set 7.1: A 65 SER OG : rot -90:sc= -0.294 USER MOD Set 7.2: A 154 LYS NZ :NH3+ -168:sc= 1.09 (180deg=-0.295) USER MOD Set 8.1: A 63 MET CE :methyl -145:sc= -4.28! (180deg=-4.78) USER MOD Set 8.2: A 151 THR OG1 : rot -80:sc= -0.763 USER MOD Single : A 28 THR OG1 : rot 31:sc= 0.257 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 33 GLN : amide:sc= 0.0527 K(o=0.053,f=-0.86) USER MOD Single : A 35 SER OG : rot -116:sc= -0.439 USER MOD Single : A 36 CYS SG : rot 180:sc= -5.61! USER MOD Single : A 37 TYR OH : rot 99:sc= 0.795 USER MOD Single : A 41 GLN : amide:sc= -2.39! C(o=-2.4!,f=-4.6!) USER MOD Single : A 48 SER OG : rot -67:sc= 0.995 USER MOD Single : A 54 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.6!) USER MOD Single : A 55 GLN : amide:sc= -2.6 K(o=-2.6,f=-3.4!) USER MOD Single : A 57 THR OG1 : rot -3:sc= -1.07! USER MOD Single : A 59 HIS :FLIP no HE2:sc= -0.0253 F(o=-0.8,f=-0.025) USER MOD Single : A 68 ASN : amide:sc= 0.526 K(o=0.53,f=-5.5!) USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= 1.02 (180deg=-0.336!) USER MOD Single : A 82 GLN : amide:sc= -0.0501 X(o=-0.05,f=-0.11) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 155:sc= -4.12! (180deg=-6.07!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00146 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 124:sc= 1.03 USER MOD Single : A 109 ASN : amide:sc= -0.0226 K(o=-0.023,f=-0.91) USER MOD Single : A 110 MET CE :methyl -119:sc= -5.1! (180deg=-7.97!) USER MOD Single : A 116 THR OG1 : rot 116:sc= 1.32 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 ASN : amide:sc= -2.02! C(o=-2!,f=-2.9!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 28 -0.083 -15.331 -3.254 1.00 0.00 N ATOM 79 CA THR A 28 0.268 -13.966 -3.640 1.00 0.00 C ATOM 80 C THR A 28 0.331 -13.095 -2.366 1.00 0.00 C ATOM 81 O THR A 28 0.871 -11.985 -2.362 1.00 0.00 O ATOM 82 CB THR A 28 -0.792 -13.379 -4.603 1.00 0.00 C ATOM 83 OG1 THR A 28 -1.079 -14.329 -5.653 1.00 0.00 O ATOM 84 CG2 THR A 28 -0.293 -12.084 -5.238 1.00 0.00 C ATOM 0 HA THR A 28 1.232 -13.976 -4.149 1.00 0.00 H new ATOM 0 HB THR A 28 -1.693 -13.170 -4.026 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.972 -15.240 -5.308 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.056 -11.691 -5.910 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.086 -11.352 -4.457 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.619 -12.283 -5.800 1.00 0.00 H new ATOM 92 N TRP A 29 -0.209 -13.647 -1.299 1.00 0.00 N ATOM 93 CA TRP A 29 -0.290 -13.004 -0.026 1.00 0.00 C ATOM 94 C TRP A 29 0.965 -13.276 0.782 1.00 0.00 C ATOM 95 O TRP A 29 1.427 -14.422 0.881 1.00 0.00 O ATOM 96 CB TRP A 29 -1.517 -13.506 0.706 1.00 0.00 C ATOM 97 CG TRP A 29 -2.799 -13.078 0.102 1.00 0.00 C ATOM 98 CD1 TRP A 29 -3.352 -13.526 -1.030 1.00 0.00 C ATOM 99 CD2 TRP A 29 -3.688 -12.135 0.626 1.00 0.00 C ATOM 100 NE1 TRP A 29 -4.518 -12.885 -1.274 1.00 0.00 N ATOM 101 CE2 TRP A 29 -4.748 -12.022 -0.264 1.00 0.00 C ATOM 102 CE3 TRP A 29 -3.679 -11.367 1.753 1.00 0.00 C ATOM 103 CZ2 TRP A 29 -5.790 -11.164 -0.059 1.00 0.00 C ATOM 104 CZ3 TRP A 29 -4.737 -10.501 1.969 1.00 0.00 C ATOM 105 CH2 TRP A 29 -5.774 -10.407 1.060 1.00 0.00 C ATOM 0 H TRP A 29 -0.613 -14.584 -1.305 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.373 -11.926 -0.166 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.488 -14.595 0.737 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.479 -13.157 1.738 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.927 -14.292 -1.661 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.121 -13.030 -2.084 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.866 -11.433 2.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.601 -11.093 -0.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.752 -9.891 2.860 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.584 -9.718 1.247 1.00 0.00 H new ATOM 116 N ILE A 30 1.508 -12.235 1.322 1.00 0.00 N ATOM 117 CA ILE A 30 2.740 -12.267 2.065 1.00 0.00 C ATOM 118 C ILE A 30 2.478 -12.102 3.548 1.00 0.00 C ATOM 119 O ILE A 30 1.969 -11.081 3.982 1.00 0.00 O ATOM 120 CB ILE A 30 3.664 -11.156 1.520 1.00 0.00 C ATOM 121 CG1 ILE A 30 3.957 -11.495 0.066 1.00 0.00 C ATOM 122 CG2 ILE A 30 4.954 -10.993 2.335 1.00 0.00 C ATOM 123 CD1 ILE A 30 4.879 -10.572 -0.600 1.00 0.00 C ATOM 0 H ILE A 30 1.098 -11.303 1.260 1.00 0.00 H new ATOM 0 HA ILE A 30 3.229 -13.233 1.940 1.00 0.00 H new ATOM 0 HB ILE A 30 3.162 -10.192 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.373 -12.501 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.017 -11.511 -0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.560 -10.197 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.704 -10.739 3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.516 -11.927 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.030 -10.890 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.459 -9.566 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.835 -10.572 -0.076 1.00 0.00 H new ATOM 135 N GLN A 31 2.796 -13.112 4.306 1.00 0.00 N ATOM 136 CA GLN A 31 2.568 -13.091 5.728 1.00 0.00 C ATOM 137 C GLN A 31 3.764 -12.488 6.441 1.00 0.00 C ATOM 138 O GLN A 31 4.873 -13.028 6.387 1.00 0.00 O ATOM 139 CB GLN A 31 2.300 -14.503 6.224 1.00 0.00 C ATOM 140 CG GLN A 31 2.060 -14.614 7.716 1.00 0.00 C ATOM 141 CD GLN A 31 1.819 -16.039 8.130 1.00 0.00 C ATOM 142 OE1 GLN A 31 2.308 -16.978 7.504 1.00 0.00 O ATOM 143 NE2 GLN A 31 1.115 -16.215 9.196 1.00 0.00 N ATOM 0 H GLN A 31 3.220 -13.973 3.960 1.00 0.00 H new ATOM 0 HA GLN A 31 1.696 -12.473 5.944 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.431 -14.899 5.699 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.148 -15.134 5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.921 -14.218 8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.201 -14.003 7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.726 -15.411 9.688 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.948 -17.158 9.547 1.00 0.00 H new ATOM 152 N PHE A 32 3.544 -11.390 7.097 1.00 0.00 N ATOM 153 CA PHE A 32 4.574 -10.707 7.805 1.00 0.00 C ATOM 154 C PHE A 32 4.147 -10.526 9.230 1.00 0.00 C ATOM 155 O PHE A 32 3.115 -9.897 9.495 1.00 0.00 O ATOM 156 CB PHE A 32 4.842 -9.380 7.130 1.00 0.00 C ATOM 157 CG PHE A 32 5.900 -8.518 7.750 1.00 0.00 C ATOM 158 CD1 PHE A 32 7.234 -8.870 7.665 1.00 0.00 C ATOM 159 CD2 PHE A 32 5.560 -7.334 8.376 1.00 0.00 C ATOM 160 CE1 PHE A 32 8.215 -8.061 8.196 1.00 0.00 C ATOM 161 CE2 PHE A 32 6.538 -6.514 8.901 1.00 0.00 C ATOM 162 CZ PHE A 32 7.869 -6.882 8.810 1.00 0.00 C ATOM 0 H PHE A 32 2.630 -10.940 7.154 1.00 0.00 H new ATOM 0 HA PHE A 32 5.499 -11.284 7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.123 -9.574 6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.911 -8.814 7.107 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.511 -9.792 7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.521 -7.048 8.455 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.253 -8.353 8.130 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.265 -5.586 9.382 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.636 -6.242 9.222 1.00 0.00 H new ATOM 172 N GLN A 33 4.918 -11.117 10.128 1.00 0.00 N ATOM 173 CA GLN A 33 4.694 -11.108 11.570 1.00 0.00 C ATOM 174 C GLN A 33 3.351 -11.736 11.954 1.00 0.00 C ATOM 175 O GLN A 33 3.295 -12.915 12.301 1.00 0.00 O ATOM 176 CB GLN A 33 4.876 -9.717 12.196 1.00 0.00 C ATOM 177 CG GLN A 33 6.276 -9.132 12.032 1.00 0.00 C ATOM 178 CD GLN A 33 6.441 -7.817 12.775 1.00 0.00 C ATOM 179 OE1 GLN A 33 5.813 -7.593 13.806 1.00 0.00 O ATOM 180 NE2 GLN A 33 7.284 -6.955 12.284 1.00 0.00 N ATOM 0 H GLN A 33 5.753 -11.639 9.864 1.00 0.00 H new ATOM 0 HA GLN A 33 5.474 -11.739 11.995 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.155 -9.033 11.749 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.642 -9.777 13.259 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.012 -9.848 12.397 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.481 -8.977 10.973 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.791 -7.170 11.425 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.437 -6.065 12.758 1.00 0.00 H new ATOM 189 N ASP A 34 2.283 -10.979 11.858 1.00 0.00 N ATOM 190 CA ASP A 34 0.956 -11.471 12.202 1.00 0.00 C ATOM 191 C ASP A 34 -0.117 -10.865 11.306 1.00 0.00 C ATOM 192 O ASP A 34 -1.307 -10.834 11.652 1.00 0.00 O ATOM 193 CB ASP A 34 0.637 -11.280 13.706 1.00 0.00 C ATOM 194 CG ASP A 34 0.836 -9.868 14.219 1.00 0.00 C ATOM 195 OD1 ASP A 34 1.969 -9.540 14.659 1.00 0.00 O ATOM 196 OD2 ASP A 34 -0.123 -9.070 14.235 1.00 0.00 O ATOM 0 H ASP A 34 2.302 -10.009 11.542 1.00 0.00 H new ATOM 0 HA ASP A 34 0.955 -12.545 12.019 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.397 -11.575 13.885 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.266 -11.955 14.286 1.00 0.00 H new ATOM 201 N SER A 35 0.294 -10.445 10.131 1.00 0.00 N ATOM 202 CA SER A 35 -0.619 -9.942 9.131 1.00 0.00 C ATOM 203 C SER A 35 -0.270 -10.544 7.785 1.00 0.00 C ATOM 204 O SER A 35 0.784 -11.170 7.632 1.00 0.00 O ATOM 205 CB SER A 35 -0.509 -8.437 9.003 1.00 0.00 C ATOM 206 OG SER A 35 -0.722 -7.793 10.239 1.00 0.00 O ATOM 0 H SER A 35 1.272 -10.443 9.842 1.00 0.00 H new ATOM 0 HA SER A 35 -1.631 -10.211 9.435 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.478 -8.175 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.238 -8.079 8.276 1.00 0.00 H new ATOM 0 HG SER A 35 -1.527 -7.237 10.184 1.00 0.00 H new ATOM 212 N CYS A 36 -1.131 -10.359 6.829 1.00 0.00 N ATOM 213 CA CYS A 36 -0.869 -10.792 5.492 1.00 0.00 C ATOM 214 C CYS A 36 -1.094 -9.644 4.567 1.00 0.00 C ATOM 215 O CYS A 36 -1.952 -8.788 4.801 1.00 0.00 O ATOM 216 CB CYS A 36 -1.698 -11.984 5.116 1.00 0.00 C ATOM 217 SG CYS A 36 -0.983 -12.940 3.775 1.00 0.00 S ATOM 0 H CYS A 36 -2.035 -9.903 6.956 1.00 0.00 H new ATOM 0 HA CYS A 36 0.169 -11.117 5.417 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.818 -12.626 5.989 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.694 -11.650 4.826 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.752 -13.953 3.507 1.00 0.00 H new ATOM 222 N TYR A 37 -0.274 -9.604 3.586 1.00 0.00 N ATOM 223 CA TYR A 37 -0.141 -8.511 2.694 1.00 0.00 C ATOM 224 C TYR A 37 -0.284 -8.907 1.257 1.00 0.00 C ATOM 225 O TYR A 37 0.154 -9.970 0.861 1.00 0.00 O ATOM 226 CB TYR A 37 1.242 -7.992 2.912 1.00 0.00 C ATOM 227 CG TYR A 37 1.430 -7.352 4.213 1.00 0.00 C ATOM 228 CD1 TYR A 37 1.719 -8.105 5.281 1.00 0.00 C ATOM 229 CD2 TYR A 37 1.318 -6.021 4.357 1.00 0.00 C ATOM 230 CE1 TYR A 37 1.909 -7.584 6.503 1.00 0.00 C ATOM 231 CE2 TYR A 37 1.498 -5.441 5.582 1.00 0.00 C ATOM 232 CZ TYR A 37 1.800 -6.240 6.662 1.00 0.00 C ATOM 233 OH TYR A 37 2.004 -5.681 7.882 1.00 0.00 O ATOM 0 H TYR A 37 0.359 -10.374 3.370 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.925 -7.779 2.890 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.949 -8.816 2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.480 -7.275 2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.803 -9.174 5.154 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.085 -5.406 3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.144 -8.221 7.343 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.405 -4.372 5.701 1.00 0.00 H new ATOM 0 HH TYR A 37 2.917 -5.328 7.931 1.00 0.00 H new ATOM 243 N ILE A 38 -0.912 -8.064 0.493 1.00 0.00 N ATOM 244 CA ILE A 38 -1.023 -8.263 -0.927 1.00 0.00 C ATOM 245 C ILE A 38 -1.120 -6.922 -1.647 1.00 0.00 C ATOM 246 O ILE A 38 -1.774 -6.006 -1.156 1.00 0.00 O ATOM 247 CB ILE A 38 -2.201 -9.186 -1.297 1.00 0.00 C ATOM 248 CG1 ILE A 38 -2.229 -9.448 -2.810 1.00 0.00 C ATOM 249 CG2 ILE A 38 -3.515 -8.602 -0.806 1.00 0.00 C ATOM 250 CD1 ILE A 38 -3.313 -10.392 -3.243 1.00 0.00 C ATOM 0 H ILE A 38 -1.364 -7.216 0.835 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.117 -8.769 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.061 -10.145 -0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.357 -8.499 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.264 -9.852 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.333 -9.269 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.481 -8.491 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.674 -7.627 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.268 -10.527 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.175 -11.355 -2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.285 -9.981 -2.969 1.00 0.00 H new ATOM 262 N PHE A 39 -0.426 -6.774 -2.755 1.00 0.00 N ATOM 263 CA PHE A 39 -0.568 -5.586 -3.546 1.00 0.00 C ATOM 264 C PHE A 39 -1.328 -5.978 -4.703 1.00 0.00 C ATOM 265 O PHE A 39 -0.973 -6.947 -5.378 1.00 0.00 O ATOM 266 CB PHE A 39 0.731 -5.063 -4.089 1.00 0.00 C ATOM 267 CG PHE A 39 0.760 -3.576 -4.283 1.00 0.00 C ATOM 268 CD1 PHE A 39 0.729 -2.740 -3.205 1.00 0.00 C ATOM 269 CD2 PHE A 39 0.828 -3.024 -5.532 1.00 0.00 C ATOM 270 CE1 PHE A 39 0.759 -1.374 -3.360 1.00 0.00 C ATOM 271 CE2 PHE A 39 0.861 -1.648 -5.696 1.00 0.00 C ATOM 272 CZ PHE A 39 0.823 -0.831 -4.612 1.00 0.00 C ATOM 0 H PHE A 39 0.235 -7.459 -3.120 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.014 -4.816 -2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.536 -5.346 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.934 -5.547 -5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.680 -3.159 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.856 -3.667 -6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.732 -0.731 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.917 -1.225 -6.688 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.843 0.241 -4.739 1.00 0.00 H new ATOM 282 N LEU A 40 -2.352 -5.327 -4.929 1.00 0.00 N ATOM 283 CA LEU A 40 -3.063 -5.559 -6.055 1.00 0.00 C ATOM 284 C LEU A 40 -3.167 -4.309 -6.812 1.00 0.00 C ATOM 285 O LEU A 40 -3.883 -3.391 -6.426 1.00 0.00 O ATOM 286 CB LEU A 40 -4.407 -6.321 -5.849 1.00 0.00 C ATOM 287 CG LEU A 40 -5.262 -6.099 -4.564 1.00 0.00 C ATOM 288 CD1 LEU A 40 -4.530 -6.549 -3.325 1.00 0.00 C ATOM 289 CD2 LEU A 40 -5.764 -4.663 -4.415 1.00 0.00 C ATOM 0 H LEU A 40 -2.727 -4.600 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.514 -6.281 -6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.043 -6.084 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.183 -7.386 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.147 -6.724 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.157 -6.379 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.299 -7.611 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.604 -5.983 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.352 -4.576 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.913 -3.983 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.386 -4.404 -5.272 1.00 0.00 H new ATOM 301 N GLN A 41 -2.321 -4.178 -7.784 1.00 0.00 N ATOM 302 CA GLN A 41 -2.434 -3.039 -8.626 1.00 0.00 C ATOM 303 C GLN A 41 -3.705 -3.167 -9.468 1.00 0.00 C ATOM 304 O GLN A 41 -3.732 -3.837 -10.504 1.00 0.00 O ATOM 305 CB GLN A 41 -1.191 -2.859 -9.500 1.00 0.00 C ATOM 306 CG GLN A 41 0.077 -2.964 -8.691 1.00 0.00 C ATOM 307 CD GLN A 41 1.328 -2.501 -9.403 1.00 0.00 C ATOM 308 OE1 GLN A 41 1.397 -2.515 -10.624 1.00 0.00 O ATOM 309 NE2 GLN A 41 2.378 -2.168 -8.645 1.00 0.00 N ATOM 0 H GLN A 41 -1.566 -4.827 -8.008 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.505 -2.143 -8.009 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.186 -3.615 -10.286 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.230 -1.887 -9.993 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.042 -2.379 -7.779 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.212 -4.002 -8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.293 -2.165 -7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.264 -1.917 -9.083 1.00 0.00 H new ATOM 318 N GLU A 42 -4.748 -2.559 -8.959 1.00 0.00 N ATOM 319 CA GLU A 42 -6.044 -2.496 -9.576 1.00 0.00 C ATOM 320 C GLU A 42 -6.358 -1.055 -9.940 1.00 0.00 C ATOM 321 O GLU A 42 -6.448 -0.193 -9.068 1.00 0.00 O ATOM 322 CB GLU A 42 -7.109 -3.025 -8.611 1.00 0.00 C ATOM 323 CG GLU A 42 -6.977 -4.512 -8.255 1.00 0.00 C ATOM 324 CD GLU A 42 -7.156 -5.407 -9.447 1.00 0.00 C ATOM 325 OE1 GLU A 42 -8.314 -5.612 -9.879 1.00 0.00 O ATOM 326 OE2 GLU A 42 -6.171 -5.951 -9.963 1.00 0.00 O ATOM 0 H GLU A 42 -4.712 -2.074 -8.063 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.044 -3.110 -10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.067 -2.441 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.092 -2.858 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.996 -4.691 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.718 -4.768 -7.498 1.00 0.00 H new ATOM 333 N ALA A 43 -6.498 -0.794 -11.203 1.00 0.00 N ATOM 334 CA ALA A 43 -6.841 0.532 -11.666 1.00 0.00 C ATOM 335 C ALA A 43 -8.345 0.695 -11.573 1.00 0.00 C ATOM 336 O ALA A 43 -9.099 -0.042 -12.223 1.00 0.00 O ATOM 337 CB ALA A 43 -6.384 0.718 -13.104 1.00 0.00 C ATOM 0 H ALA A 43 -6.380 -1.484 -11.945 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.345 1.282 -11.050 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.647 1.720 -13.443 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.303 0.588 -13.162 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.873 -0.020 -13.740 1.00 0.00 H new ATOM 343 N ILE A 44 -8.786 1.618 -10.756 1.00 0.00 N ATOM 344 CA ILE A 44 -10.213 1.855 -10.559 1.00 0.00 C ATOM 345 C ILE A 44 -10.458 3.330 -10.355 1.00 0.00 C ATOM 346 O ILE A 44 -9.534 4.079 -9.992 1.00 0.00 O ATOM 347 CB ILE A 44 -10.859 1.109 -9.335 1.00 0.00 C ATOM 348 CG1 ILE A 44 -10.350 1.658 -8.013 1.00 0.00 C ATOM 349 CG2 ILE A 44 -10.652 -0.402 -9.391 1.00 0.00 C ATOM 350 CD1 ILE A 44 -11.184 1.218 -6.843 1.00 0.00 C ATOM 0 H ILE A 44 -8.180 2.228 -10.208 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.681 1.461 -11.461 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.931 1.297 -9.402 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.320 1.334 -7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.339 2.747 -8.057 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.118 -0.866 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.105 -0.798 -10.300 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.585 -0.623 -9.391 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.774 1.640 -5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.209 1.565 -6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.175 0.130 -6.778 1.00 0.00 H new ATOM 362 N LYS A 45 -11.658 3.761 -10.648 1.00 0.00 N ATOM 363 CA LYS A 45 -12.068 5.085 -10.370 1.00 0.00 C ATOM 364 C LYS A 45 -12.128 5.255 -8.855 1.00 0.00 C ATOM 365 O LYS A 45 -13.002 4.699 -8.184 1.00 0.00 O ATOM 366 CB LYS A 45 -13.449 5.345 -10.999 1.00 0.00 C ATOM 367 CG LYS A 45 -14.050 6.704 -10.670 1.00 0.00 C ATOM 368 CD LYS A 45 -13.169 7.823 -11.164 1.00 0.00 C ATOM 369 CE LYS A 45 -13.700 9.165 -10.730 1.00 0.00 C ATOM 370 NZ LYS A 45 -12.857 10.287 -11.193 1.00 0.00 N ATOM 0 H LYS A 45 -12.374 3.185 -11.091 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.363 5.801 -10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.364 5.253 -12.082 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.137 4.568 -10.666 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.037 6.788 -11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.186 6.793 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.157 7.688 -10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.107 7.788 -12.252 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.712 9.293 -11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.767 9.191 -9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.218 11.179 -10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.878 10.139 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.881 10.334 -12.232 1.00 0.00 H new ATOM 384 N VAL A 46 -11.194 5.977 -8.332 1.00 0.00 N ATOM 385 CA VAL A 46 -11.129 6.231 -6.935 1.00 0.00 C ATOM 386 C VAL A 46 -11.682 7.576 -6.675 1.00 0.00 C ATOM 387 O VAL A 46 -11.242 8.575 -7.242 1.00 0.00 O ATOM 388 CB VAL A 46 -9.703 6.121 -6.373 1.00 0.00 C ATOM 389 CG1 VAL A 46 -9.702 6.378 -4.884 1.00 0.00 C ATOM 390 CG2 VAL A 46 -9.124 4.763 -6.684 1.00 0.00 C ATOM 0 H VAL A 46 -10.446 6.412 -8.871 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.716 5.468 -6.425 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.079 6.878 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.685 6.296 -4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.084 7.380 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.336 5.644 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.113 4.697 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.746 3.990 -6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.094 4.619 -7.764 1.00 0.00 H new ATOM 400 N GLU A 47 -12.675 7.592 -5.892 1.00 0.00 N ATOM 401 CA GLU A 47 -13.342 8.780 -5.575 1.00 0.00 C ATOM 402 C GLU A 47 -12.921 9.240 -4.215 1.00 0.00 C ATOM 403 O GLU A 47 -12.743 10.436 -3.965 1.00 0.00 O ATOM 404 CB GLU A 47 -14.805 8.503 -5.626 1.00 0.00 C ATOM 405 CG GLU A 47 -15.189 7.799 -6.890 1.00 0.00 C ATOM 406 CD GLU A 47 -16.643 7.935 -7.239 1.00 0.00 C ATOM 407 OE1 GLU A 47 -17.463 7.106 -6.786 1.00 0.00 O ATOM 408 OE2 GLU A 47 -16.995 8.868 -7.979 1.00 0.00 O ATOM 0 H GLU A 47 -13.058 6.761 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.098 9.573 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.091 7.894 -4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.356 9.440 -5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.589 8.192 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.945 6.741 -6.795 1.00 0.00 H new ATOM 415 N SER A 48 -12.730 8.287 -3.375 1.00 0.00 N ATOM 416 CA SER A 48 -12.304 8.477 -2.036 1.00 0.00 C ATOM 417 C SER A 48 -11.333 7.416 -1.719 1.00 0.00 C ATOM 418 O SER A 48 -11.290 6.421 -2.417 1.00 0.00 O ATOM 419 CB SER A 48 -13.479 8.337 -1.103 1.00 0.00 C ATOM 420 OG SER A 48 -14.407 9.391 -1.277 1.00 0.00 O ATOM 0 H SER A 48 -12.874 7.306 -3.615 1.00 0.00 H new ATOM 0 HA SER A 48 -11.864 9.468 -1.921 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.974 7.382 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.127 8.327 -0.071 1.00 0.00 H new ATOM 0 HG SER A 48 -14.002 10.235 -0.987 1.00 0.00 H new ATOM 426 N ILE A 49 -10.584 7.562 -0.651 1.00 0.00 N ATOM 427 CA ILE A 49 -9.672 6.541 -0.277 1.00 0.00 C ATOM 428 C ILE A 49 -10.464 5.288 0.123 1.00 0.00 C ATOM 429 O ILE A 49 -10.010 4.179 0.020 1.00 0.00 O ATOM 430 CB ILE A 49 -8.743 7.000 0.830 1.00 0.00 C ATOM 431 CG1 ILE A 49 -7.692 5.977 1.074 1.00 0.00 C ATOM 432 CG2 ILE A 49 -9.511 7.234 2.060 1.00 0.00 C ATOM 433 CD1 ILE A 49 -6.590 6.453 2.020 1.00 0.00 C ATOM 0 H ILE A 49 -10.597 8.377 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.034 6.300 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.263 7.930 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.156 5.082 1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.245 5.692 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.838 7.564 2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.262 8.003 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.003 6.310 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.857 5.658 2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.101 7.330 1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.026 6.711 2.985 1.00 0.00 H new ATOM 445 N GLU A 50 -11.673 5.521 0.497 1.00 0.00 N ATOM 446 CA GLU A 50 -12.651 4.479 0.777 1.00 0.00 C ATOM 447 C GLU A 50 -12.862 3.599 -0.495 1.00 0.00 C ATOM 448 O GLU A 50 -13.158 2.430 -0.393 1.00 0.00 O ATOM 449 CB GLU A 50 -13.989 5.081 1.170 1.00 0.00 C ATOM 450 CG GLU A 50 -13.972 6.046 2.343 1.00 0.00 C ATOM 451 CD GLU A 50 -13.671 5.414 3.685 1.00 0.00 C ATOM 452 OE1 GLU A 50 -14.521 4.679 4.224 1.00 0.00 O ATOM 453 OE2 GLU A 50 -12.608 5.694 4.254 1.00 0.00 O ATOM 0 H GLU A 50 -12.039 6.464 0.626 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.272 3.875 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.398 5.602 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.675 4.267 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.229 6.819 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.941 6.542 2.401 1.00 0.00 H new ATOM 460 N ASP A 51 -12.655 4.173 -1.671 1.00 0.00 N ATOM 461 CA ASP A 51 -12.799 3.476 -2.927 1.00 0.00 C ATOM 462 C ASP A 51 -11.637 2.580 -3.192 1.00 0.00 C ATOM 463 O ASP A 51 -11.784 1.502 -3.730 1.00 0.00 O ATOM 464 CB ASP A 51 -12.918 4.465 -4.074 1.00 0.00 C ATOM 465 CG ASP A 51 -14.272 5.078 -4.193 1.00 0.00 C ATOM 466 OD1 ASP A 51 -14.558 6.042 -3.477 1.00 0.00 O ATOM 467 OD2 ASP A 51 -15.084 4.600 -4.990 1.00 0.00 O ATOM 0 H ASP A 51 -12.379 5.149 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.704 2.873 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.180 5.256 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.674 3.958 -5.007 1.00 0.00 H new ATOM 472 N VAL A 52 -10.498 3.000 -2.763 1.00 0.00 N ATOM 473 CA VAL A 52 -9.288 2.295 -3.034 1.00 0.00 C ATOM 474 C VAL A 52 -9.067 1.263 -1.975 1.00 0.00 C ATOM 475 O VAL A 52 -8.579 0.180 -2.221 1.00 0.00 O ATOM 476 CB VAL A 52 -8.094 3.264 -3.173 1.00 0.00 C ATOM 477 CG1 VAL A 52 -8.160 4.381 -2.216 1.00 0.00 C ATOM 478 CG2 VAL A 52 -6.764 2.545 -3.188 1.00 0.00 C ATOM 0 H VAL A 52 -10.376 3.848 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.374 1.783 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.177 3.728 -4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.297 5.032 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.075 4.950 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.157 3.989 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.958 3.272 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.640 1.991 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.734 1.853 -4.030 1.00 0.00 H new ATOM 488 N ARG A 53 -9.522 1.580 -0.812 1.00 0.00 N ATOM 489 CA ARG A 53 -9.443 0.716 0.294 1.00 0.00 C ATOM 490 C ARG A 53 -10.387 -0.496 0.056 1.00 0.00 C ATOM 491 O ARG A 53 -10.204 -1.579 0.626 1.00 0.00 O ATOM 492 CB ARG A 53 -9.753 1.573 1.555 1.00 0.00 C ATOM 493 CG ARG A 53 -11.144 1.950 1.779 1.00 0.00 C ATOM 494 CD ARG A 53 -11.913 0.842 2.356 1.00 0.00 C ATOM 495 NE ARG A 53 -11.982 0.912 3.825 1.00 0.00 N ATOM 496 CZ ARG A 53 -13.065 1.289 4.530 1.00 0.00 C ATOM 497 NH1 ARG A 53 -14.204 1.591 3.915 1.00 0.00 N ATOM 498 NH2 ARG A 53 -12.999 1.346 5.852 1.00 0.00 N ATOM 0 H ARG A 53 -9.970 2.474 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.457 0.275 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.407 1.024 2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.161 2.486 1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.186 2.811 2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.596 2.256 0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.923 0.852 1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.459 -0.104 2.061 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.145 0.655 4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.264 1.538 2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.018 1.875 4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.131 1.105 6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.816 1.631 6.392 1.00 0.00 H new ATOM 512 N ASN A 54 -11.366 -0.283 -0.845 1.00 0.00 N ATOM 513 CA ASN A 54 -12.340 -1.306 -1.272 1.00 0.00 C ATOM 514 C ASN A 54 -11.643 -2.440 -1.949 1.00 0.00 C ATOM 515 O ASN A 54 -12.085 -3.583 -1.888 1.00 0.00 O ATOM 516 CB ASN A 54 -13.361 -0.738 -2.259 1.00 0.00 C ATOM 517 CG ASN A 54 -14.484 0.040 -1.619 1.00 0.00 C ATOM 518 OD1 ASN A 54 -14.853 -0.207 -0.473 1.00 0.00 O ATOM 519 ND2 ASN A 54 -15.054 0.961 -2.355 1.00 0.00 N ATOM 0 H ASN A 54 -11.504 0.618 -1.303 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.851 -1.646 -0.371 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.843 -0.089 -2.965 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.787 -1.560 -2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.833 1.503 -1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.719 1.137 -3.302 1.00 0.00 H new ATOM 526 N GLN A 55 -10.537 -2.119 -2.569 1.00 0.00 N ATOM 527 CA GLN A 55 -9.740 -3.092 -3.305 1.00 0.00 C ATOM 528 C GLN A 55 -9.209 -4.151 -2.363 1.00 0.00 C ATOM 529 O GLN A 55 -9.061 -5.312 -2.729 1.00 0.00 O ATOM 530 CB GLN A 55 -8.577 -2.414 -4.008 1.00 0.00 C ATOM 531 CG GLN A 55 -8.993 -1.320 -4.958 1.00 0.00 C ATOM 532 CD GLN A 55 -7.810 -0.633 -5.620 1.00 0.00 C ATOM 533 OE1 GLN A 55 -6.760 -1.224 -5.825 1.00 0.00 O ATOM 534 NE2 GLN A 55 -7.983 0.618 -5.963 1.00 0.00 N ATOM 0 H GLN A 55 -10.154 -1.174 -2.583 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.381 -3.558 -4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.906 -1.995 -3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.010 -3.165 -4.559 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.640 -1.740 -5.728 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.581 -0.579 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.873 1.080 -5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.228 1.131 -6.417 1.00 0.00 H new ATOM 543 N CYS A 56 -8.950 -3.757 -1.147 1.00 0.00 N ATOM 544 CA CYS A 56 -8.464 -4.649 -0.174 1.00 0.00 C ATOM 545 C CYS A 56 -9.578 -5.385 0.497 1.00 0.00 C ATOM 546 O CYS A 56 -9.490 -6.601 0.707 1.00 0.00 O ATOM 547 CB CYS A 56 -7.639 -3.918 0.830 1.00 0.00 C ATOM 548 SG CYS A 56 -6.224 -3.095 0.111 1.00 0.00 S ATOM 0 H CYS A 56 -9.076 -2.800 -0.818 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.837 -5.386 -0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.262 -3.181 1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.296 -4.620 1.590 1.00 0.00 H new ATOM 553 N THR A 57 -10.655 -4.680 0.783 1.00 0.00 N ATOM 554 CA THR A 57 -11.799 -5.262 1.468 1.00 0.00 C ATOM 555 C THR A 57 -12.480 -6.293 0.585 1.00 0.00 C ATOM 556 O THR A 57 -13.183 -7.175 1.053 1.00 0.00 O ATOM 557 CB THR A 57 -12.769 -4.172 1.942 1.00 0.00 C ATOM 558 OG1 THR A 57 -13.219 -3.396 0.829 1.00 0.00 O ATOM 559 CG2 THR A 57 -12.058 -3.251 2.913 1.00 0.00 C ATOM 0 H THR A 57 -10.765 -3.693 0.550 1.00 0.00 H new ATOM 0 HA THR A 57 -11.446 -5.780 2.360 1.00 0.00 H new ATOM 0 HB THR A 57 -13.621 -4.649 2.426 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.774 -3.706 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.747 -2.476 3.250 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.710 -3.826 3.771 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.205 -2.788 2.417 1.00 0.00 H new ATOM 567 N ASP A 58 -12.168 -6.199 -0.693 1.00 0.00 N ATOM 568 CA ASP A 58 -12.589 -7.153 -1.727 1.00 0.00 C ATOM 569 C ASP A 58 -12.040 -8.537 -1.411 1.00 0.00 C ATOM 570 O ASP A 58 -12.633 -9.553 -1.733 1.00 0.00 O ATOM 571 CB ASP A 58 -12.049 -6.692 -3.089 1.00 0.00 C ATOM 572 CG ASP A 58 -12.276 -7.686 -4.210 1.00 0.00 C ATOM 573 OD1 ASP A 58 -13.368 -7.693 -4.801 1.00 0.00 O ATOM 574 OD2 ASP A 58 -11.347 -8.444 -4.553 1.00 0.00 O ATOM 0 H ASP A 58 -11.598 -5.438 -1.062 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.678 -7.197 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.521 -5.746 -3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.980 -6.500 -2.998 1.00 0.00 H new ATOM 579 N HIS A 59 -10.918 -8.556 -0.724 1.00 0.00 N ATOM 580 CA HIS A 59 -10.252 -9.788 -0.380 1.00 0.00 C ATOM 581 C HIS A 59 -10.407 -10.052 1.097 1.00 0.00 C ATOM 582 O HIS A 59 -9.783 -10.962 1.647 1.00 0.00 O ATOM 583 CB HIS A 59 -8.759 -9.746 -0.735 1.00 0.00 C ATOM 584 CG HIS A 59 -8.430 -9.479 -2.191 1.00 0.00 C ATOM 585 ND1 HIS A 59 -8.432 -8.325 -2.874 1.00 0.00 N flip ATOM 586 CD2 HIS A 59 -8.027 -10.442 -3.091 1.00 0.00 C flip ATOM 587 CE1 HIS A 59 -8.049 -8.585 -4.151 1.00 0.00 C flip ATOM 588 NE2 HIS A 59 -7.805 -9.866 -4.264 1.00 0.00 N flip ATOM 0 H HIS A 59 -10.444 -7.717 -0.390 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.714 -10.589 -0.957 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.283 -8.976 -0.128 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.311 -10.698 -0.450 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -8.679 -7.409 -2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.911 -11.494 -2.876 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.960 -7.855 -4.942 1.00 0.00 H new ATOM 597 N GLY A 60 -11.252 -9.265 1.733 1.00 0.00 N ATOM 598 CA GLY A 60 -11.435 -9.379 3.153 1.00 0.00 C ATOM 599 C GLY A 60 -10.267 -8.797 3.911 1.00 0.00 C ATOM 600 O GLY A 60 -9.999 -9.166 5.049 1.00 0.00 O ATOM 0 H GLY A 60 -11.818 -8.544 1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.351 -8.866 3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.558 -10.428 3.422 1.00 0.00 H new ATOM 604 N ALA A 61 -9.569 -7.909 3.268 1.00 0.00 N ATOM 605 CA ALA A 61 -8.415 -7.252 3.858 1.00 0.00 C ATOM 606 C ALA A 61 -8.698 -5.765 3.978 1.00 0.00 C ATOM 607 O ALA A 61 -9.782 -5.328 3.639 1.00 0.00 O ATOM 608 CB ALA A 61 -7.177 -7.502 2.997 1.00 0.00 C ATOM 0 H ALA A 61 -9.776 -7.611 2.315 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.225 -7.658 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.316 -7.007 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.987 -8.574 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.344 -7.104 1.996 1.00 0.00 H new ATOM 614 N ASP A 62 -7.774 -5.014 4.479 1.00 0.00 N ATOM 615 CA ASP A 62 -7.887 -3.559 4.551 1.00 0.00 C ATOM 616 C ASP A 62 -6.604 -2.971 4.066 1.00 0.00 C ATOM 617 O ASP A 62 -5.681 -3.717 3.784 1.00 0.00 O ATOM 618 CB ASP A 62 -8.263 -3.041 5.956 1.00 0.00 C ATOM 619 CG ASP A 62 -7.376 -3.540 7.074 1.00 0.00 C ATOM 620 OD1 ASP A 62 -6.387 -2.899 7.413 1.00 0.00 O ATOM 621 OD2 ASP A 62 -7.722 -4.588 7.684 1.00 0.00 O ATOM 0 H ASP A 62 -6.901 -5.379 4.860 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.712 -3.242 3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.233 -1.951 5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.292 -3.330 6.171 1.00 0.00 H new ATOM 626 N MET A 63 -6.553 -1.682 3.841 1.00 0.00 N ATOM 627 CA MET A 63 -5.307 -1.094 3.381 1.00 0.00 C ATOM 628 C MET A 63 -4.243 -1.131 4.465 1.00 0.00 C ATOM 629 O MET A 63 -4.539 -1.024 5.653 1.00 0.00 O ATOM 630 CB MET A 63 -5.467 0.333 2.838 1.00 0.00 C ATOM 631 CG MET A 63 -6.256 0.444 1.554 1.00 0.00 C ATOM 632 SD MET A 63 -6.429 2.154 0.973 1.00 0.00 S ATOM 633 CE MET A 63 -4.713 2.621 0.665 1.00 0.00 C ATOM 0 H MET A 63 -7.330 -1.032 3.962 1.00 0.00 H new ATOM 0 HA MET A 63 -4.983 -1.713 2.544 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.953 0.943 3.599 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.476 0.757 2.675 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.767 -0.149 0.781 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.247 0.015 1.705 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.572 3.673 0.913 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.054 2.011 1.283 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.476 2.461 -0.387 1.00 0.00 H new ATOM 643 N ILE A 64 -3.031 -1.305 4.007 1.00 0.00 N ATOM 644 CA ILE A 64 -1.785 -1.368 4.790 1.00 0.00 C ATOM 645 C ILE A 64 -1.721 -0.401 6.024 1.00 0.00 C ATOM 646 O ILE A 64 -2.168 0.726 5.975 1.00 0.00 O ATOM 647 CB ILE A 64 -0.602 -1.075 3.835 1.00 0.00 C ATOM 648 CG1 ILE A 64 0.650 -0.728 4.614 1.00 0.00 C ATOM 649 CG2 ILE A 64 -0.963 -0.008 2.800 1.00 0.00 C ATOM 650 CD1 ILE A 64 1.772 -0.235 3.778 1.00 0.00 C ATOM 0 H ILE A 64 -2.856 -1.416 3.008 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.736 -2.370 5.217 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.388 -1.985 3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.404 0.032 5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.980 -1.611 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.108 0.170 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.809 -0.351 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.230 0.918 3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.628 -0.010 4.414 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.050 -1.001 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.464 0.668 3.251 1.00 0.00 H new ATOM 662 N SER A 65 -1.095 -0.849 7.094 1.00 0.00 N ATOM 663 CA SER A 65 -0.998 -0.066 8.284 1.00 0.00 C ATOM 664 C SER A 65 0.321 -0.319 9.021 1.00 0.00 C ATOM 665 O SER A 65 0.608 -1.437 9.454 1.00 0.00 O ATOM 666 CB SER A 65 -2.206 -0.330 9.157 1.00 0.00 C ATOM 667 OG SER A 65 -2.447 -1.727 9.285 1.00 0.00 O ATOM 0 H SER A 65 -0.645 -1.763 7.151 1.00 0.00 H new ATOM 0 HA SER A 65 -0.992 0.991 8.017 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.049 0.107 10.143 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.082 0.156 8.728 1.00 0.00 H new ATOM 0 HG SER A 65 -3.048 -2.022 8.570 1.00 0.00 H new ATOM 673 N ILE A 66 1.080 0.740 9.201 1.00 0.00 N ATOM 674 CA ILE A 66 2.398 0.666 9.766 1.00 0.00 C ATOM 675 C ILE A 66 2.425 1.037 11.223 1.00 0.00 C ATOM 676 O ILE A 66 2.001 2.120 11.632 1.00 0.00 O ATOM 677 CB ILE A 66 3.353 1.578 8.982 1.00 0.00 C ATOM 678 CG1 ILE A 66 3.359 1.133 7.514 1.00 0.00 C ATOM 679 CG2 ILE A 66 4.734 1.555 9.602 1.00 0.00 C ATOM 680 CD1 ILE A 66 4.212 1.939 6.581 1.00 0.00 C ATOM 0 H ILE A 66 0.790 1.686 8.954 1.00 0.00 H new ATOM 0 HA ILE A 66 2.722 -0.372 9.690 1.00 0.00 H new ATOM 0 HB ILE A 66 3.014 2.613 9.025 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.691 0.096 7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.333 1.155 7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.399 2.206 9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.676 1.905 10.633 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.123 0.537 9.586 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.136 1.530 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.871 2.974 6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.250 1.899 6.911 1.00 0.00 H new ATOM 692 N HIS A 67 2.896 0.119 12.008 1.00 0.00 N ATOM 693 CA HIS A 67 3.089 0.344 13.407 1.00 0.00 C ATOM 694 C HIS A 67 4.566 0.177 13.747 1.00 0.00 C ATOM 695 O HIS A 67 4.935 0.167 14.914 1.00 0.00 O ATOM 696 CB HIS A 67 2.231 -0.607 14.266 1.00 0.00 C ATOM 697 CG HIS A 67 0.738 -0.444 14.109 1.00 0.00 C ATOM 698 ND1 HIS A 67 -0.049 0.200 15.033 1.00 0.00 N ATOM 699 CD2 HIS A 67 -0.112 -0.885 13.143 1.00 0.00 C ATOM 700 CE1 HIS A 67 -1.306 0.145 14.654 1.00 0.00 C ATOM 701 NE2 HIS A 67 -1.387 -0.510 13.509 1.00 0.00 N ATOM 0 H HIS A 67 3.160 -0.815 11.694 1.00 0.00 H new ATOM 0 HA HIS A 67 2.770 1.361 13.635 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.496 -1.635 14.017 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.489 -0.456 15.314 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.290 0.651 15.882 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.162 -1.430 12.252 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.141 0.568 15.193 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.242 -0.704 12.988 1.00 0.00 H new ATOM 710 N ASN A 68 5.429 0.074 12.710 1.00 0.00 N ATOM 711 CA ASN A 68 6.885 -0.076 12.908 1.00 0.00 C ATOM 712 C ASN A 68 7.645 0.107 11.659 1.00 0.00 C ATOM 713 O ASN A 68 7.110 0.012 10.571 1.00 0.00 O ATOM 714 CB ASN A 68 7.329 -1.416 13.539 1.00 0.00 C ATOM 715 CG ASN A 68 6.524 -2.624 13.117 1.00 0.00 C ATOM 716 OD1 ASN A 68 6.834 -3.264 12.131 1.00 0.00 O ATOM 717 ND2 ASN A 68 5.508 -2.954 13.878 1.00 0.00 N ATOM 0 H ASN A 68 5.141 0.092 11.732 1.00 0.00 H new ATOM 0 HA ASN A 68 7.112 0.718 13.619 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.375 -1.590 13.286 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.275 -1.324 14.624 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.946 -3.774 13.651 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.280 -2.391 14.697 1.00 0.00 H new ATOM 724 N GLU A 69 8.922 0.345 11.830 1.00 0.00 N ATOM 725 CA GLU A 69 9.838 0.504 10.753 1.00 0.00 C ATOM 726 C GLU A 69 9.990 -0.796 10.047 1.00 0.00 C ATOM 727 O GLU A 69 10.271 -0.813 8.864 1.00 0.00 O ATOM 728 CB GLU A 69 11.172 0.981 11.281 1.00 0.00 C ATOM 729 CG GLU A 69 11.875 -0.005 12.165 1.00 0.00 C ATOM 730 CD GLU A 69 12.835 0.658 13.094 1.00 0.00 C ATOM 731 OE1 GLU A 69 14.011 0.848 12.735 1.00 0.00 O ATOM 732 OE2 GLU A 69 12.420 1.019 14.210 1.00 0.00 O ATOM 0 H GLU A 69 9.354 0.434 12.750 1.00 0.00 H new ATOM 0 HA GLU A 69 9.460 1.248 10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.819 1.220 10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.019 1.906 11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.138 -0.562 12.743 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.409 -0.728 11.548 1.00 0.00 H new ATOM 739 N GLU A 70 9.718 -1.896 10.760 1.00 0.00 N ATOM 740 CA GLU A 70 9.827 -3.154 10.188 1.00 0.00 C ATOM 741 C GLU A 70 8.740 -3.343 9.164 1.00 0.00 C ATOM 742 O GLU A 70 8.995 -3.855 8.094 1.00 0.00 O ATOM 743 CB GLU A 70 9.795 -4.181 11.266 1.00 0.00 C ATOM 744 CG GLU A 70 11.160 -4.704 11.651 1.00 0.00 C ATOM 745 CD GLU A 70 11.835 -5.443 10.515 1.00 0.00 C ATOM 746 OE1 GLU A 70 12.352 -4.799 9.574 1.00 0.00 O ATOM 747 OE2 GLU A 70 11.861 -6.686 10.542 1.00 0.00 O ATOM 0 H GLU A 70 9.423 -1.893 11.736 1.00 0.00 H new ATOM 0 HA GLU A 70 10.776 -3.261 9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.318 -3.754 12.148 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.175 -5.016 10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.790 -3.872 11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.063 -5.371 12.508 1.00 0.00 H new ATOM 754 N GLU A 71 7.543 -2.886 9.505 1.00 0.00 N ATOM 755 CA GLU A 71 6.407 -2.874 8.596 1.00 0.00 C ATOM 756 C GLU A 71 6.783 -1.986 7.432 1.00 0.00 C ATOM 757 O GLU A 71 6.837 -2.424 6.316 1.00 0.00 O ATOM 758 CB GLU A 71 5.192 -2.223 9.267 1.00 0.00 C ATOM 759 CG GLU A 71 3.831 -2.786 8.897 1.00 0.00 C ATOM 760 CD GLU A 71 3.616 -3.046 7.522 1.00 0.00 C ATOM 761 OE1 GLU A 71 3.996 -4.142 7.098 1.00 0.00 O ATOM 762 OE2 GLU A 71 2.957 -2.227 6.885 1.00 0.00 O ATOM 0 H GLU A 71 7.332 -2.510 10.429 1.00 0.00 H new ATOM 0 HA GLU A 71 6.166 -3.895 8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.313 -2.306 10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.198 -1.160 9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.682 -3.714 9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.067 -2.087 9.237 1.00 0.00 H new ATOM 769 N ASN A 72 7.171 -0.748 7.761 1.00 0.00 N ATOM 770 CA ASN A 72 7.443 0.285 6.791 1.00 0.00 C ATOM 771 C ASN A 72 8.420 -0.201 5.748 1.00 0.00 C ATOM 772 O ASN A 72 8.164 -0.147 4.548 1.00 0.00 O ATOM 773 CB ASN A 72 8.024 1.519 7.495 1.00 0.00 C ATOM 774 CG ASN A 72 8.353 2.609 6.514 1.00 0.00 C ATOM 775 OD1 ASN A 72 7.548 3.448 6.236 1.00 0.00 O ATOM 776 ND2 ASN A 72 9.557 2.613 6.009 1.00 0.00 N ATOM 0 H ASN A 72 7.303 -0.445 8.726 1.00 0.00 H new ATOM 0 HA ASN A 72 6.506 0.547 6.299 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.308 1.892 8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.923 1.237 8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.834 3.347 5.357 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.221 1.882 6.267 1.00 0.00 H new ATOM 783 N ALA A 73 9.514 -0.706 6.231 1.00 0.00 N ATOM 784 CA ALA A 73 10.577 -1.181 5.386 1.00 0.00 C ATOM 785 C ALA A 73 10.229 -2.504 4.683 1.00 0.00 C ATOM 786 O ALA A 73 10.769 -2.804 3.617 1.00 0.00 O ATOM 787 CB ALA A 73 11.828 -1.294 6.184 1.00 0.00 C ATOM 0 H ALA A 73 9.700 -0.803 7.229 1.00 0.00 H new ATOM 0 HA ALA A 73 10.726 -0.455 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.635 -1.654 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.092 -0.316 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.674 -1.995 7.004 1.00 0.00 H new ATOM 793 N PHE A 74 9.328 -3.262 5.266 1.00 0.00 N ATOM 794 CA PHE A 74 8.839 -4.509 4.676 1.00 0.00 C ATOM 795 C PHE A 74 8.075 -4.205 3.436 1.00 0.00 C ATOM 796 O PHE A 74 8.326 -4.748 2.396 1.00 0.00 O ATOM 797 CB PHE A 74 7.880 -5.205 5.635 1.00 0.00 C ATOM 798 CG PHE A 74 6.997 -6.205 5.076 1.00 0.00 C ATOM 799 CD1 PHE A 74 7.434 -7.434 4.637 1.00 0.00 C ATOM 800 CD2 PHE A 74 5.714 -5.903 5.002 1.00 0.00 C ATOM 801 CE1 PHE A 74 6.528 -8.330 4.125 1.00 0.00 C ATOM 802 CE2 PHE A 74 4.835 -6.733 4.518 1.00 0.00 C ATOM 803 CZ PHE A 74 5.206 -7.968 4.063 1.00 0.00 C ATOM 0 H PHE A 74 8.906 -3.039 6.167 1.00 0.00 H new ATOM 0 HA PHE A 74 9.698 -5.146 4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.471 -5.677 6.420 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.266 -4.441 6.113 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.481 -7.692 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.383 -4.937 5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.850 -9.301 3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.796 -6.441 4.475 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.470 -8.648 3.661 1.00 0.00 H new ATOM 813 N ILE A 75 7.176 -3.291 3.573 1.00 0.00 N ATOM 814 CA ILE A 75 6.219 -2.922 2.549 1.00 0.00 C ATOM 815 C ILE A 75 6.976 -2.431 1.415 1.00 0.00 C ATOM 816 O ILE A 75 6.754 -2.784 0.271 1.00 0.00 O ATOM 817 CB ILE A 75 5.342 -1.794 3.085 1.00 0.00 C ATOM 818 CG1 ILE A 75 4.675 -2.242 4.371 1.00 0.00 C ATOM 819 CG2 ILE A 75 4.338 -1.379 2.069 1.00 0.00 C ATOM 820 CD1 ILE A 75 3.718 -3.347 4.201 1.00 0.00 C ATOM 0 H ILE A 75 7.071 -2.750 4.431 1.00 0.00 H new ATOM 0 HA ILE A 75 5.594 -3.769 2.266 1.00 0.00 H new ATOM 0 HB ILE A 75 5.964 -0.925 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.445 -2.549 5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.156 -1.392 4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.724 -0.574 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.850 -1.030 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.703 -2.228 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.286 -3.606 5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.925 -3.040 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.234 -4.215 3.789 1.00 0.00 H new ATOM 832 N LEU A 76 7.937 -1.720 1.789 1.00 0.00 N ATOM 833 CA LEU A 76 8.835 -1.111 0.965 1.00 0.00 C ATOM 834 C LEU A 76 9.558 -2.109 0.077 1.00 0.00 C ATOM 835 O LEU A 76 9.631 -1.932 -1.103 1.00 0.00 O ATOM 836 CB LEU A 76 9.814 -0.418 1.834 1.00 0.00 C ATOM 837 CG LEU A 76 10.073 0.974 1.437 1.00 0.00 C ATOM 838 CD1 LEU A 76 8.910 1.778 1.860 1.00 0.00 C ATOM 839 CD2 LEU A 76 11.342 1.536 1.958 1.00 0.00 C ATOM 0 H LEU A 76 8.124 -1.539 2.775 1.00 0.00 H new ATOM 0 HA LEU A 76 8.314 -0.418 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.449 -0.432 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.753 -0.971 1.822 1.00 0.00 H new ATOM 0 HG LEU A 76 10.202 1.001 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.067 2.820 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.011 1.403 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.792 1.706 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.451 2.565 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.329 1.515 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.180 0.942 1.593 1.00 0.00 H new ATOM 851 N ASP A 77 10.058 -3.147 0.644 1.00 0.00 N ATOM 852 CA ASP A 77 10.845 -4.122 -0.135 1.00 0.00 C ATOM 853 C ASP A 77 9.956 -5.107 -0.799 1.00 0.00 C ATOM 854 O ASP A 77 10.141 -5.441 -1.951 1.00 0.00 O ATOM 855 CB ASP A 77 11.861 -4.886 0.763 1.00 0.00 C ATOM 856 CG ASP A 77 11.296 -5.999 1.654 1.00 0.00 C ATOM 857 OD1 ASP A 77 10.943 -5.741 2.808 1.00 0.00 O ATOM 858 OD2 ASP A 77 11.279 -7.164 1.228 1.00 0.00 O ATOM 0 H ASP A 77 9.956 -3.370 1.634 1.00 0.00 H new ATOM 0 HA ASP A 77 11.394 -3.557 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.624 -5.322 0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.362 -4.160 1.403 1.00 0.00 H new ATOM 863 N THR A 78 8.942 -5.435 -0.121 1.00 0.00 N ATOM 864 CA THR A 78 8.104 -6.533 -0.438 1.00 0.00 C ATOM 865 C THR A 78 7.267 -6.235 -1.608 1.00 0.00 C ATOM 866 O THR A 78 6.945 -7.129 -2.420 1.00 0.00 O ATOM 867 CB THR A 78 7.299 -6.880 0.789 1.00 0.00 C ATOM 868 OG1 THR A 78 8.197 -7.453 1.734 1.00 0.00 O ATOM 869 CG2 THR A 78 6.167 -7.804 0.505 1.00 0.00 C ATOM 0 H THR A 78 8.648 -4.929 0.714 1.00 0.00 H new ATOM 0 HA THR A 78 8.699 -7.402 -0.718 1.00 0.00 H new ATOM 0 HB THR A 78 6.837 -5.973 1.179 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.750 -7.534 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.628 -8.014 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.490 -7.340 -0.212 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.553 -8.735 0.090 1.00 0.00 H new ATOM 877 N LEU A 79 6.991 -4.979 -1.730 1.00 0.00 N ATOM 878 CA LEU A 79 6.254 -4.472 -2.773 1.00 0.00 C ATOM 879 C LEU A 79 6.925 -4.838 -4.087 1.00 0.00 C ATOM 880 O LEU A 79 6.368 -5.520 -4.916 1.00 0.00 O ATOM 881 CB LEU A 79 6.218 -2.990 -2.642 1.00 0.00 C ATOM 882 CG LEU A 79 4.900 -2.329 -2.871 1.00 0.00 C ATOM 883 CD1 LEU A 79 4.127 -3.016 -3.966 1.00 0.00 C ATOM 884 CD2 LEU A 79 4.117 -2.283 -1.552 1.00 0.00 C ATOM 0 H LEU A 79 7.299 -4.272 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 79 5.244 -4.881 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.560 -2.728 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.937 -2.569 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 79 5.065 -1.306 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.172 -2.511 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.699 -2.979 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.950 -4.055 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.154 -1.800 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.957 -3.298 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.684 -1.718 -0.812 1.00 0.00 H new ATOM 896 N LYS A 80 8.138 -4.390 -4.213 1.00 0.00 N ATOM 897 CA LYS A 80 8.969 -4.633 -5.384 1.00 0.00 C ATOM 898 C LYS A 80 9.473 -6.063 -5.487 1.00 0.00 C ATOM 899 O LYS A 80 9.821 -6.537 -6.567 1.00 0.00 O ATOM 900 CB LYS A 80 10.134 -3.698 -5.320 1.00 0.00 C ATOM 901 CG LYS A 80 9.690 -2.283 -5.315 1.00 0.00 C ATOM 902 CD LYS A 80 9.941 -1.694 -3.987 1.00 0.00 C ATOM 903 CE LYS A 80 11.452 -1.496 -3.736 1.00 0.00 C ATOM 904 NZ LYS A 80 11.770 -0.882 -2.417 1.00 0.00 N ATOM 0 H LYS A 80 8.600 -3.831 -3.496 1.00 0.00 H new ATOM 0 HA LYS A 80 8.355 -4.464 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.717 -3.901 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.790 -3.872 -6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.224 -1.720 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.629 -2.223 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.429 -0.735 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.524 -2.341 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.951 -2.462 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.862 -0.868 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.682 -1.247 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.828 0.151 -2.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.023 -1.121 -1.734 1.00 0.00 H new ATOM 918 N LYS A 81 9.532 -6.718 -4.374 1.00 0.00 N ATOM 919 CA LYS A 81 10.079 -8.046 -4.275 1.00 0.00 C ATOM 920 C LYS A 81 9.144 -9.090 -4.863 1.00 0.00 C ATOM 921 O LYS A 81 9.520 -9.862 -5.749 1.00 0.00 O ATOM 922 CB LYS A 81 10.294 -8.304 -2.808 1.00 0.00 C ATOM 923 CG LYS A 81 10.990 -9.571 -2.438 1.00 0.00 C ATOM 924 CD LYS A 81 11.264 -9.569 -0.952 1.00 0.00 C ATOM 925 CE LYS A 81 10.033 -9.939 -0.197 1.00 0.00 C ATOM 926 NZ LYS A 81 10.121 -9.538 1.226 1.00 0.00 N ATOM 0 H LYS A 81 9.197 -6.344 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 81 11.008 -8.116 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.865 -7.471 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.321 -8.296 -2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.375 -10.430 -2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.924 -9.663 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.065 -10.272 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.607 -8.583 -0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.167 -9.462 -0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.876 -11.016 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.242 -10.384 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.934 -8.903 1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.248 -9.044 1.502 1.00 0.00 H new ATOM 940 N GLN A 82 7.935 -9.070 -4.415 1.00 0.00 N ATOM 941 CA GLN A 82 6.948 -10.040 -4.852 1.00 0.00 C ATOM 942 C GLN A 82 6.131 -9.506 -5.997 1.00 0.00 C ATOM 943 O GLN A 82 5.875 -10.206 -6.978 1.00 0.00 O ATOM 944 CB GLN A 82 6.013 -10.344 -3.720 1.00 0.00 C ATOM 945 CG GLN A 82 5.096 -11.525 -3.977 1.00 0.00 C ATOM 946 CD GLN A 82 5.858 -12.823 -4.028 1.00 0.00 C ATOM 947 OE1 GLN A 82 6.271 -13.272 -5.094 1.00 0.00 O ATOM 948 NE2 GLN A 82 6.138 -13.380 -2.881 1.00 0.00 N ATOM 0 H GLN A 82 7.588 -8.390 -3.738 1.00 0.00 H new ATOM 0 HA GLN A 82 7.479 -10.936 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.598 -10.540 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.405 -9.462 -3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.341 -11.577 -3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.567 -11.377 -4.918 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.776 -12.977 -2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.719 -14.218 -2.849 1.00 0.00 H new ATOM 957 N TRP A 83 5.741 -8.278 -5.880 1.00 0.00 N ATOM 958 CA TRP A 83 4.881 -7.667 -6.840 1.00 0.00 C ATOM 959 C TRP A 83 5.734 -6.699 -7.678 1.00 0.00 C ATOM 960 O TRP A 83 6.971 -6.842 -7.705 1.00 0.00 O ATOM 961 CB TRP A 83 3.718 -6.962 -6.087 1.00 0.00 C ATOM 962 CG TRP A 83 3.043 -7.860 -5.044 1.00 0.00 C ATOM 963 CD1 TRP A 83 2.324 -9.011 -5.240 1.00 0.00 C ATOM 964 CD2 TRP A 83 3.034 -7.634 -3.643 1.00 0.00 C ATOM 965 NE1 TRP A 83 1.890 -9.501 -4.012 1.00 0.00 N ATOM 966 CE2 TRP A 83 2.315 -8.664 -3.032 1.00 0.00 C ATOM 967 CE3 TRP A 83 3.573 -6.657 -2.872 1.00 0.00 C ATOM 968 CZ2 TRP A 83 2.128 -8.722 -1.654 1.00 0.00 C ATOM 969 CZ3 TRP A 83 3.403 -6.686 -1.508 1.00 0.00 C ATOM 970 CH2 TRP A 83 2.683 -7.712 -0.899 1.00 0.00 C ATOM 0 H TRP A 83 6.012 -7.667 -5.110 1.00 0.00 H new ATOM 0 HA TRP A 83 4.428 -8.391 -7.518 1.00 0.00 H new ATOM 0 HB2 TRP A 83 4.101 -6.068 -5.594 1.00 0.00 H new ATOM 0 HB3 TRP A 83 2.972 -6.632 -6.810 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.125 -9.467 -6.199 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.342 -10.350 -3.872 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.136 -5.857 -3.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.571 -9.526 -1.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.833 -5.903 -0.901 1.00 0.00 H new ATOM 0 HH2 TRP A 83 2.559 -7.715 0.174 1.00 0.00 H new ATOM 981 N LYS A 84 5.127 -5.764 -8.369 1.00 0.00 N ATOM 982 CA LYS A 84 5.902 -4.831 -9.184 1.00 0.00 C ATOM 983 C LYS A 84 6.607 -3.802 -8.331 1.00 0.00 C ATOM 984 O LYS A 84 7.832 -3.819 -8.175 1.00 0.00 O ATOM 985 CB LYS A 84 5.029 -4.138 -10.219 1.00 0.00 C ATOM 986 CG LYS A 84 4.317 -5.072 -11.170 1.00 0.00 C ATOM 987 CD LYS A 84 3.460 -4.299 -12.149 1.00 0.00 C ATOM 988 CE LYS A 84 4.311 -3.506 -13.123 1.00 0.00 C ATOM 989 NZ LYS A 84 3.503 -2.844 -14.157 1.00 0.00 N ATOM 0 H LYS A 84 4.117 -5.622 -8.391 1.00 0.00 H new ATOM 0 HA LYS A 84 6.656 -5.420 -9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.285 -3.533 -9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.649 -3.454 -10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.048 -5.670 -11.714 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.695 -5.766 -10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.821 -4.989 -12.700 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.802 -3.622 -11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.883 -2.756 -12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.031 -4.172 -13.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.127 -2.315 -14.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.977 -3.560 -14.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.833 -2.188 -13.707 1.00 0.00 H new ATOM 1003 N GLY A 85 5.843 -2.916 -7.804 1.00 0.00 N ATOM 1004 CA GLY A 85 6.328 -1.903 -6.986 1.00 0.00 C ATOM 1005 C GLY A 85 6.434 -0.614 -7.671 1.00 0.00 C ATOM 1006 O GLY A 85 7.261 -0.423 -8.566 1.00 0.00 O ATOM 0 H GLY A 85 4.833 -2.888 -7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.672 -1.796 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.309 -2.188 -6.607 1.00 0.00 H new ATOM 1010 N PRO A 86 5.624 0.267 -7.265 1.00 0.00 N ATOM 1011 CA PRO A 86 5.579 1.603 -7.756 1.00 0.00 C ATOM 1012 C PRO A 86 6.525 2.504 -6.957 1.00 0.00 C ATOM 1013 O PRO A 86 7.238 2.015 -6.094 1.00 0.00 O ATOM 1014 CB PRO A 86 4.132 1.938 -7.561 1.00 0.00 C ATOM 1015 CG PRO A 86 3.660 1.108 -6.412 1.00 0.00 C ATOM 1016 CD PRO A 86 4.684 0.074 -6.174 1.00 0.00 C ATOM 0 HA PRO A 86 5.907 1.734 -8.787 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.004 3.000 -7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.557 1.719 -8.461 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.521 1.724 -5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.696 0.651 -6.637 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.164 0.201 -5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.254 -0.927 -6.188 1.00 0.00 H new ATOM 1024 N ASP A 87 6.580 3.778 -7.274 1.00 0.00 N ATOM 1025 CA ASP A 87 7.461 4.700 -6.541 1.00 0.00 C ATOM 1026 C ASP A 87 6.999 4.863 -5.122 1.00 0.00 C ATOM 1027 O ASP A 87 7.802 4.845 -4.192 1.00 0.00 O ATOM 1028 CB ASP A 87 7.600 6.059 -7.214 1.00 0.00 C ATOM 1029 CG ASP A 87 8.277 5.966 -8.549 1.00 0.00 C ATOM 1030 OD1 ASP A 87 9.521 5.839 -8.599 1.00 0.00 O ATOM 1031 OD2 ASP A 87 7.573 6.005 -9.584 1.00 0.00 O ATOM 0 H ASP A 87 6.038 4.209 -8.023 1.00 0.00 H new ATOM 0 HA ASP A 87 8.452 4.245 -6.547 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.612 6.502 -7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.169 6.726 -6.566 1.00 0.00 H new ATOM 1036 N ASP A 88 5.720 5.027 -4.938 1.00 0.00 N ATOM 1037 CA ASP A 88 5.157 5.049 -3.612 1.00 0.00 C ATOM 1038 C ASP A 88 3.890 4.275 -3.678 1.00 0.00 C ATOM 1039 O ASP A 88 3.214 4.274 -4.703 1.00 0.00 O ATOM 1040 CB ASP A 88 4.828 6.457 -3.047 1.00 0.00 C ATOM 1041 CG ASP A 88 5.845 7.548 -3.297 1.00 0.00 C ATOM 1042 OD1 ASP A 88 5.913 8.051 -4.429 1.00 0.00 O ATOM 1043 OD2 ASP A 88 6.515 7.998 -2.354 1.00 0.00 O ATOM 0 H ASP A 88 5.042 5.148 -5.691 1.00 0.00 H new ATOM 0 HA ASP A 88 5.909 4.635 -2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.875 6.778 -3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.686 6.366 -1.970 1.00 0.00 H new ATOM 1048 N ILE A 89 3.598 3.594 -2.641 1.00 0.00 N ATOM 1049 CA ILE A 89 2.381 2.812 -2.523 1.00 0.00 C ATOM 1050 C ILE A 89 1.444 3.516 -1.614 1.00 0.00 C ATOM 1051 O ILE A 89 1.896 4.252 -0.732 1.00 0.00 O ATOM 1052 CB ILE A 89 2.636 1.447 -1.930 1.00 0.00 C ATOM 1053 CG1 ILE A 89 3.198 1.578 -0.512 1.00 0.00 C ATOM 1054 CG2 ILE A 89 3.560 0.713 -2.831 1.00 0.00 C ATOM 1055 CD1 ILE A 89 4.699 1.579 -0.357 1.00 0.00 C ATOM 0 H ILE A 89 4.197 3.547 -1.817 1.00 0.00 H new ATOM 0 HA ILE A 89 1.973 2.693 -3.527 1.00 0.00 H new ATOM 0 HB ILE A 89 1.705 0.885 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.814 2.503 -0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.798 0.759 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.758 -0.277 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.105 0.613 -3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.497 1.263 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.956 1.678 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.105 0.644 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.122 2.416 -0.913 1.00 0.00 H new ATOM 1067 N LEU A 90 0.159 3.338 -1.779 1.00 0.00 N ATOM 1068 CA LEU A 90 -0.716 4.016 -0.915 1.00 0.00 C ATOM 1069 C LEU A 90 -0.657 3.385 0.441 1.00 0.00 C ATOM 1070 O LEU A 90 -0.623 2.161 0.566 1.00 0.00 O ATOM 1071 CB LEU A 90 -2.158 4.068 -1.445 1.00 0.00 C ATOM 1072 CG LEU A 90 -2.868 5.417 -1.486 1.00 0.00 C ATOM 1073 CD1 LEU A 90 -4.189 5.249 -2.119 1.00 0.00 C ATOM 1074 CD2 LEU A 90 -3.068 5.987 -0.129 1.00 0.00 C ATOM 0 H LEU A 90 -0.276 2.745 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.388 5.053 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.154 3.664 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.760 3.394 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.239 6.101 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.702 6.210 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.061 4.872 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.782 4.541 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.577 6.947 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.673 5.304 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.100 6.128 0.352 1.00 0.00 H new ATOM 1086 N LEU A 91 -0.598 4.223 1.433 1.00 0.00 N ATOM 1087 CA LEU A 91 -0.646 3.778 2.771 1.00 0.00 C ATOM 1088 C LEU A 91 -2.056 3.653 3.095 1.00 0.00 C ATOM 1089 O LEU A 91 -2.903 4.327 2.514 1.00 0.00 O ATOM 1090 CB LEU A 91 -0.069 4.782 3.738 1.00 0.00 C ATOM 1091 CG LEU A 91 1.216 4.427 4.532 1.00 0.00 C ATOM 1092 CD1 LEU A 91 2.069 3.414 3.859 1.00 0.00 C ATOM 1093 CD2 LEU A 91 2.029 5.645 4.784 1.00 0.00 C ATOM 0 H LEU A 91 -0.515 5.234 1.324 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.074 2.854 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.135 5.695 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.846 5.020 4.464 1.00 0.00 H new ATOM 0 HG LEU A 91 0.870 3.994 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.949 3.215 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.503 2.492 3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.382 3.791 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.926 5.375 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.315 6.095 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.444 6.360 5.362 1.00 0.00 H new ATOM 1105 N GLY A 92 -2.311 2.907 4.051 1.00 0.00 N ATOM 1106 CA GLY A 92 -3.655 2.653 4.406 1.00 0.00 C ATOM 1107 C GLY A 92 -4.069 3.593 5.457 1.00 0.00 C ATOM 1108 O GLY A 92 -4.577 3.204 6.506 1.00 0.00 O ATOM 0 H GLY A 92 -1.612 2.440 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.299 2.759 3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.762 1.627 4.758 1.00 0.00 H new ATOM 1112 N MET A 93 -3.857 4.837 5.172 1.00 0.00 N ATOM 1113 CA MET A 93 -4.067 5.852 6.073 1.00 0.00 C ATOM 1114 C MET A 93 -4.942 6.868 5.488 1.00 0.00 C ATOM 1115 O MET A 93 -4.752 7.270 4.337 1.00 0.00 O ATOM 1116 CB MET A 93 -2.776 6.430 6.610 1.00 0.00 C ATOM 1117 CG MET A 93 -2.683 7.950 6.578 1.00 0.00 C ATOM 1118 SD MET A 93 -1.213 8.575 7.370 1.00 0.00 S ATOM 1119 CE MET A 93 0.030 7.557 6.656 1.00 0.00 C ATOM 0 H MET A 93 -3.520 5.155 4.263 1.00 0.00 H new ATOM 0 HA MET A 93 -4.573 5.433 6.943 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.647 6.096 7.639 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.946 6.019 6.035 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.702 8.288 5.542 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.560 8.373 7.068 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.988 8.077 6.686 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.105 6.626 7.218 1.00 0.00 H new ATOM 0 HE3 MET A 93 -0.231 7.336 5.621 1.00 0.00 H new ATOM 1129 N PHE A 94 -5.877 7.297 6.242 1.00 0.00 N ATOM 1130 CA PHE A 94 -6.809 8.201 5.744 1.00 0.00 C ATOM 1131 C PHE A 94 -6.802 9.412 6.563 1.00 0.00 C ATOM 1132 O PHE A 94 -6.391 9.380 7.724 1.00 0.00 O ATOM 1133 CB PHE A 94 -8.177 7.553 5.621 1.00 0.00 C ATOM 1134 CG PHE A 94 -8.894 7.130 6.851 1.00 0.00 C ATOM 1135 CD1 PHE A 94 -8.580 5.970 7.389 1.00 0.00 C ATOM 1136 CD2 PHE A 94 -9.922 7.867 7.401 1.00 0.00 C ATOM 1137 CE1 PHE A 94 -9.212 5.459 8.452 1.00 0.00 C ATOM 1138 CE2 PHE A 94 -10.585 7.379 8.504 1.00 0.00 C ATOM 1139 CZ PHE A 94 -10.208 6.149 9.018 1.00 0.00 C ATOM 0 H PHE A 94 -6.010 7.027 7.217 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.536 8.501 4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -8.823 8.251 5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.067 6.673 4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.772 5.403 6.951 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -10.204 8.817 6.971 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.920 4.498 8.849 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.384 7.944 8.960 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.720 5.746 9.879 1.00 0.00 H new ATOM 1149 N TYR A 95 -7.224 10.458 5.998 1.00 0.00 N ATOM 1150 CA TYR A 95 -7.169 11.700 6.675 1.00 0.00 C ATOM 1151 C TYR A 95 -8.530 12.123 7.082 1.00 0.00 C ATOM 1152 O TYR A 95 -9.320 12.622 6.283 1.00 0.00 O ATOM 1153 CB TYR A 95 -6.412 12.792 5.888 1.00 0.00 C ATOM 1154 CG TYR A 95 -6.322 14.112 6.615 1.00 0.00 C ATOM 1155 CD1 TYR A 95 -5.892 14.161 7.918 1.00 0.00 C ATOM 1156 CD2 TYR A 95 -6.659 15.291 5.995 1.00 0.00 C ATOM 1157 CE1 TYR A 95 -5.792 15.340 8.601 1.00 0.00 C ATOM 1158 CE2 TYR A 95 -6.563 16.492 6.663 1.00 0.00 C ATOM 1159 CZ TYR A 95 -6.130 16.514 7.971 1.00 0.00 C ATOM 1160 OH TYR A 95 -6.018 17.717 8.643 1.00 0.00 O ATOM 0 H TYR A 95 -7.618 10.493 5.058 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.577 11.554 7.579 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.404 12.438 5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.909 12.948 4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.625 13.241 8.417 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.003 15.276 4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.451 15.349 9.626 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.826 17.413 6.163 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.296 18.448 8.053 1.00 0.00 H new ATOM 1170 N ASP A 96 -8.814 11.869 8.316 1.00 0.00 N ATOM 1171 CA ASP A 96 -10.043 12.256 8.899 1.00 0.00 C ATOM 1172 C ASP A 96 -9.911 13.701 9.220 1.00 0.00 C ATOM 1173 O ASP A 96 -9.135 14.056 10.092 1.00 0.00 O ATOM 1174 CB ASP A 96 -10.244 11.501 10.165 1.00 0.00 C ATOM 1175 CG ASP A 96 -11.591 11.732 10.799 1.00 0.00 C ATOM 1176 OD1 ASP A 96 -11.725 12.667 11.578 1.00 0.00 O ATOM 1177 OD2 ASP A 96 -12.525 10.931 10.555 1.00 0.00 O ATOM 0 H ASP A 96 -8.185 11.379 8.952 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.882 12.061 8.231 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.124 10.436 9.966 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.465 11.783 10.874 1.00 0.00 H new ATOM 1182 N THR A 97 -10.601 14.530 8.520 1.00 0.00 N ATOM 1183 CA THR A 97 -10.460 15.949 8.675 1.00 0.00 C ATOM 1184 C THR A 97 -11.197 16.436 9.903 1.00 0.00 C ATOM 1185 O THR A 97 -10.867 17.474 10.476 1.00 0.00 O ATOM 1186 CB THR A 97 -10.966 16.662 7.424 1.00 0.00 C ATOM 1187 OG1 THR A 97 -12.337 16.286 7.171 1.00 0.00 O ATOM 1188 CG2 THR A 97 -10.116 16.272 6.235 1.00 0.00 C ATOM 0 H THR A 97 -11.285 14.249 7.818 1.00 0.00 H new ATOM 0 HA THR A 97 -9.403 16.180 8.809 1.00 0.00 H new ATOM 0 HB THR A 97 -10.905 17.739 7.579 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.660 16.747 6.368 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.480 16.783 5.344 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.080 16.557 6.419 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.174 15.194 6.084 1.00 0.00 H new ATOM 1196 N ASP A 98 -12.151 15.644 10.320 1.00 0.00 N ATOM 1197 CA ASP A 98 -12.982 15.924 11.472 1.00 0.00 C ATOM 1198 C ASP A 98 -12.135 15.968 12.732 1.00 0.00 C ATOM 1199 O ASP A 98 -12.215 16.908 13.532 1.00 0.00 O ATOM 1200 CB ASP A 98 -14.030 14.835 11.570 1.00 0.00 C ATOM 1201 CG ASP A 98 -14.992 15.005 12.712 1.00 0.00 C ATOM 1202 OD1 ASP A 98 -15.854 15.913 12.658 1.00 0.00 O ATOM 1203 OD2 ASP A 98 -14.930 14.223 13.672 1.00 0.00 O ATOM 0 H ASP A 98 -12.380 14.763 9.859 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.465 16.895 11.364 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.593 14.804 10.637 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.529 13.872 11.672 1.00 0.00 H new ATOM 1208 N ASP A 99 -11.301 14.973 12.885 1.00 0.00 N ATOM 1209 CA ASP A 99 -10.383 14.891 14.028 1.00 0.00 C ATOM 1210 C ASP A 99 -9.106 15.572 13.657 1.00 0.00 C ATOM 1211 O ASP A 99 -8.338 16.031 14.516 1.00 0.00 O ATOM 1212 CB ASP A 99 -10.034 13.441 14.334 1.00 0.00 C ATOM 1213 CG ASP A 99 -9.358 13.270 15.679 1.00 0.00 C ATOM 1214 OD1 ASP A 99 -9.981 13.573 16.705 1.00 0.00 O ATOM 1215 OD2 ASP A 99 -8.213 12.786 15.732 1.00 0.00 O ATOM 0 H ASP A 99 -11.227 14.192 12.233 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.863 15.352 14.891 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.944 12.841 14.311 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.379 13.057 13.552 1.00 0.00 H new ATOM 1220 N ALA A 100 -8.907 15.635 12.352 1.00 0.00 N ATOM 1221 CA ALA A 100 -7.703 16.095 11.720 1.00 0.00 C ATOM 1222 C ALA A 100 -6.590 15.128 12.054 1.00 0.00 C ATOM 1223 O ALA A 100 -5.536 15.509 12.553 1.00 0.00 O ATOM 1224 CB ALA A 100 -7.353 17.544 12.065 1.00 0.00 C ATOM 0 H ALA A 100 -9.620 15.351 11.681 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.857 16.111 10.641 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.433 17.827 11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.162 18.200 11.745 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.214 17.638 13.142 1.00 0.00 H new ATOM 1230 N SER A 101 -6.851 13.860 11.802 1.00 0.00 N ATOM 1231 CA SER A 101 -5.924 12.833 12.110 1.00 0.00 C ATOM 1232 C SER A 101 -5.769 11.894 10.990 1.00 0.00 C ATOM 1233 O SER A 101 -6.699 11.678 10.193 1.00 0.00 O ATOM 1234 CB SER A 101 -6.380 12.104 13.362 1.00 0.00 C ATOM 1235 OG SER A 101 -5.759 10.841 13.585 1.00 0.00 O ATOM 0 H SER A 101 -7.718 13.531 11.377 1.00 0.00 H new ATOM 0 HA SER A 101 -4.949 13.286 12.288 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.190 12.742 14.225 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.458 11.956 13.306 1.00 0.00 H new ATOM 0 HG SER A 101 -5.865 10.586 14.525 1.00 0.00 H new ATOM 1241 N PHE A 102 -4.609 11.360 10.907 1.00 0.00 N ATOM 1242 CA PHE A 102 -4.348 10.342 9.993 1.00 0.00 C ATOM 1243 C PHE A 102 -4.625 9.051 10.655 1.00 0.00 C ATOM 1244 O PHE A 102 -4.186 8.802 11.785 1.00 0.00 O ATOM 1245 CB PHE A 102 -2.973 10.373 9.444 1.00 0.00 C ATOM 1246 CG PHE A 102 -2.693 11.530 8.622 1.00 0.00 C ATOM 1247 CD1 PHE A 102 -3.104 11.552 7.315 1.00 0.00 C ATOM 1248 CD2 PHE A 102 -2.009 12.606 9.148 1.00 0.00 C ATOM 1249 CE1 PHE A 102 -2.834 12.645 6.539 1.00 0.00 C ATOM 1250 CE2 PHE A 102 -1.738 13.695 8.384 1.00 0.00 C ATOM 1251 CZ PHE A 102 -2.145 13.722 7.081 1.00 0.00 C ATOM 0 H PHE A 102 -3.812 11.628 11.484 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.999 10.486 9.130 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.262 10.347 10.270 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.808 9.472 8.853 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.638 10.710 6.900 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.686 12.582 10.178 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.155 12.671 5.508 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.204 14.534 8.804 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.930 14.585 6.469 1.00 0.00 H new ATOM 1261 N LYS A 103 -5.355 8.247 9.990 1.00 0.00 N ATOM 1262 CA LYS A 103 -5.890 7.088 10.585 1.00 0.00 C ATOM 1263 C LYS A 103 -5.593 5.912 9.768 1.00 0.00 C ATOM 1264 O LYS A 103 -5.623 5.988 8.565 1.00 0.00 O ATOM 1265 CB LYS A 103 -7.392 7.269 10.698 1.00 0.00 C ATOM 1266 CG LYS A 103 -7.722 8.591 11.298 1.00 0.00 C ATOM 1267 CD LYS A 103 -9.105 8.750 11.711 1.00 0.00 C ATOM 1268 CE LYS A 103 -9.184 9.773 12.821 1.00 0.00 C ATOM 1269 NZ LYS A 103 -8.422 9.380 14.029 1.00 0.00 N ATOM 0 H LYS A 103 -5.601 8.374 9.008 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.448 6.938 11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.848 7.189 9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.814 6.472 11.310 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.079 8.751 12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.483 9.371 10.575 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.714 9.068 10.865 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.506 7.796 12.052 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.806 10.727 12.455 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.229 9.927 13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.759 9.929 14.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.561 8.366 14.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.411 9.569 13.878 1.00 0.00 H new ATOM 1283 N TRP A 104 -5.289 4.842 10.393 1.00 0.00 N ATOM 1284 CA TRP A 104 -5.085 3.641 9.695 1.00 0.00 C ATOM 1285 C TRP A 104 -6.417 3.020 9.393 1.00 0.00 C ATOM 1286 O TRP A 104 -7.336 3.078 10.212 1.00 0.00 O ATOM 1287 CB TRP A 104 -4.242 2.653 10.513 1.00 0.00 C ATOM 1288 CG TRP A 104 -2.792 3.017 10.665 1.00 0.00 C ATOM 1289 CD1 TRP A 104 -2.097 3.130 11.826 1.00 0.00 C ATOM 1290 CD2 TRP A 104 -1.855 3.313 9.612 1.00 0.00 C ATOM 1291 NE1 TRP A 104 -0.791 3.442 11.559 1.00 0.00 N ATOM 1292 CE2 TRP A 104 -0.624 3.581 10.217 1.00 0.00 C ATOM 1293 CE3 TRP A 104 -1.938 3.374 8.223 1.00 0.00 C ATOM 1294 CZ2 TRP A 104 0.513 3.907 9.486 1.00 0.00 C ATOM 1295 CZ3 TRP A 104 -0.813 3.697 7.502 1.00 0.00 C ATOM 1296 CH2 TRP A 104 0.398 3.961 8.135 1.00 0.00 C ATOM 0 H TRP A 104 -5.175 4.776 11.404 1.00 0.00 H new ATOM 0 HA TRP A 104 -4.547 3.866 8.774 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.682 2.561 11.506 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -4.306 1.671 10.044 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -2.513 2.994 12.813 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -0.057 3.553 12.259 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -2.872 3.171 7.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.454 4.110 9.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -0.870 3.747 6.425 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.263 4.214 7.540 1.00 0.00 H new ATOM 1307 N PHE A 105 -6.529 2.419 8.228 1.00 0.00 N ATOM 1308 CA PHE A 105 -7.694 1.614 7.887 1.00 0.00 C ATOM 1309 C PHE A 105 -7.744 0.366 8.775 1.00 0.00 C ATOM 1310 O PHE A 105 -8.731 -0.376 8.808 1.00 0.00 O ATOM 1311 CB PHE A 105 -7.751 1.262 6.389 1.00 0.00 C ATOM 1312 CG PHE A 105 -8.343 2.356 5.550 1.00 0.00 C ATOM 1313 CD1 PHE A 105 -9.657 2.724 5.757 1.00 0.00 C ATOM 1314 CD2 PHE A 105 -7.614 3.034 4.569 1.00 0.00 C ATOM 1315 CE1 PHE A 105 -10.227 3.720 5.020 1.00 0.00 C ATOM 1316 CE2 PHE A 105 -8.184 4.012 3.853 1.00 0.00 C ATOM 1317 CZ PHE A 105 -9.488 4.363 4.066 1.00 0.00 C ATOM 0 H PHE A 105 -5.824 2.470 7.492 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.584 2.212 8.081 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.743 1.045 6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -8.338 0.353 6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -10.241 2.217 6.511 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.583 2.767 4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -11.256 3.999 5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.608 4.529 3.100 1.00 0.00 H new ATOM 0 HZ PHE A 105 -9.936 5.151 3.479 1.00 0.00 H new ATOM 1327 N ASP A 106 -6.641 0.164 9.488 1.00 0.00 N ATOM 1328 CA ASP A 106 -6.498 -0.887 10.498 1.00 0.00 C ATOM 1329 C ASP A 106 -7.330 -0.528 11.739 1.00 0.00 C ATOM 1330 O ASP A 106 -7.588 -1.370 12.598 1.00 0.00 O ATOM 1331 CB ASP A 106 -5.015 -0.963 10.899 1.00 0.00 C ATOM 1332 CG ASP A 106 -4.663 -2.061 11.888 1.00 0.00 C ATOM 1333 OD1 ASP A 106 -4.976 -3.228 11.616 1.00 0.00 O ATOM 1334 OD2 ASP A 106 -3.993 -1.770 12.921 1.00 0.00 O ATOM 0 H ASP A 106 -5.803 0.736 9.380 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.842 -1.841 10.097 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.419 -1.105 9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.722 -0.004 11.327 1.00 0.00 H new ATOM 1339 N ASN A 107 -7.758 0.748 11.805 1.00 0.00 N ATOM 1340 CA ASN A 107 -8.529 1.328 12.933 1.00 0.00 C ATOM 1341 C ASN A 107 -7.723 1.425 14.202 1.00 0.00 C ATOM 1342 O ASN A 107 -8.235 1.811 15.258 1.00 0.00 O ATOM 1343 CB ASN A 107 -9.884 0.635 13.185 1.00 0.00 C ATOM 1344 CG ASN A 107 -10.959 1.086 12.222 1.00 0.00 C ATOM 1345 OD1 ASN A 107 -11.131 0.519 11.141 1.00 0.00 O ATOM 1346 ND2 ASN A 107 -11.703 2.093 12.607 1.00 0.00 N ATOM 0 H ASN A 107 -7.576 1.422 11.062 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.760 2.344 12.611 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.756 -0.444 13.101 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.207 0.839 14.206 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.454 2.432 12.005 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.532 2.538 13.509 1.00 0.00 H new ATOM 1353 N SER A 108 -6.473 1.109 14.111 1.00 0.00 N ATOM 1354 CA SER A 108 -5.619 1.197 15.232 1.00 0.00 C ATOM 1355 C SER A 108 -4.833 2.479 15.136 1.00 0.00 C ATOM 1356 O SER A 108 -4.675 3.029 14.036 1.00 0.00 O ATOM 1357 CB SER A 108 -4.708 -0.006 15.294 1.00 0.00 C ATOM 1358 OG SER A 108 -5.450 -1.206 15.145 1.00 0.00 O ATOM 0 H SER A 108 -6.023 0.784 13.255 1.00 0.00 H new ATOM 0 HA SER A 108 -6.204 1.206 16.151 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.955 0.061 14.509 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.177 -0.017 16.246 1.00 0.00 H new ATOM 0 HG SER A 108 -5.094 -1.719 14.390 1.00 0.00 H new ATOM 1364 N ASN A 109 -4.377 2.956 16.265 1.00 0.00 N ATOM 1365 CA ASN A 109 -3.635 4.205 16.369 1.00 0.00 C ATOM 1366 C ASN A 109 -2.393 4.175 15.512 1.00 0.00 C ATOM 1367 O ASN A 109 -1.743 3.127 15.363 1.00 0.00 O ATOM 1368 CB ASN A 109 -3.182 4.429 17.810 1.00 0.00 C ATOM 1369 CG ASN A 109 -2.517 5.732 18.035 1.00 0.00 C ATOM 1370 OD1 ASN A 109 -2.794 6.726 17.368 1.00 0.00 O ATOM 1371 ND2 ASN A 109 -1.667 5.758 18.973 1.00 0.00 N ATOM 0 H ASN A 109 -4.509 2.485 17.160 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.300 5.002 16.037 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.048 4.356 18.468 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.498 3.629 18.094 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.183 6.627 19.199 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.466 4.910 19.503 1.00 0.00 H new ATOM 1378 N MET A 110 -2.070 5.288 14.939 1.00 0.00 N ATOM 1379 CA MET A 110 -0.843 5.410 14.236 1.00 0.00 C ATOM 1380 C MET A 110 0.266 5.598 15.251 1.00 0.00 C ATOM 1381 O MET A 110 0.532 6.700 15.707 1.00 0.00 O ATOM 1382 CB MET A 110 -0.908 6.552 13.254 1.00 0.00 C ATOM 1383 CG MET A 110 0.325 6.713 12.392 1.00 0.00 C ATOM 1384 SD MET A 110 0.071 7.922 11.099 1.00 0.00 S ATOM 1385 CE MET A 110 -1.373 7.211 10.308 1.00 0.00 C ATOM 0 H MET A 110 -2.646 6.130 14.946 1.00 0.00 H new ATOM 0 HA MET A 110 -0.644 4.510 13.655 1.00 0.00 H new ATOM 0 HB2 MET A 110 -1.772 6.407 12.606 1.00 0.00 H new ATOM 0 HB3 MET A 110 -1.074 7.478 13.804 1.00 0.00 H new ATOM 0 HG2 MET A 110 1.167 7.016 13.014 1.00 0.00 H new ATOM 0 HG3 MET A 110 0.586 5.753 11.947 1.00 0.00 H new ATOM 0 HE1 MET A 110 -1.138 6.968 9.272 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.667 6.304 10.836 1.00 0.00 H new ATOM 0 HE3 MET A 110 -2.193 7.929 10.335 1.00 0.00 H new ATOM 1395 N THR A 111 0.840 4.499 15.653 1.00 0.00 N ATOM 1396 CA THR A 111 1.839 4.478 16.680 1.00 0.00 C ATOM 1397 C THR A 111 3.265 4.605 16.123 1.00 0.00 C ATOM 1398 O THR A 111 4.234 4.705 16.884 1.00 0.00 O ATOM 1399 CB THR A 111 1.682 3.186 17.498 1.00 0.00 C ATOM 1400 OG1 THR A 111 1.557 2.057 16.595 1.00 0.00 O ATOM 1401 CG2 THR A 111 0.442 3.265 18.389 1.00 0.00 C ATOM 0 H THR A 111 0.622 3.579 15.269 1.00 0.00 H new ATOM 0 HA THR A 111 1.688 5.347 17.320 1.00 0.00 H new ATOM 0 HB THR A 111 2.561 3.060 18.130 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.776 1.230 17.073 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.346 2.342 18.961 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.539 4.108 19.073 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.444 3.401 17.769 1.00 0.00 H new ATOM 1409 N PHE A 112 3.394 4.602 14.808 1.00 0.00 N ATOM 1410 CA PHE A 112 4.677 4.732 14.167 1.00 0.00 C ATOM 1411 C PHE A 112 4.506 5.581 12.962 1.00 0.00 C ATOM 1412 O PHE A 112 3.406 5.619 12.402 1.00 0.00 O ATOM 1413 CB PHE A 112 5.211 3.388 13.721 1.00 0.00 C ATOM 1414 CG PHE A 112 6.669 3.442 13.394 1.00 0.00 C ATOM 1415 CD1 PHE A 112 7.620 3.531 14.392 1.00 0.00 C ATOM 1416 CD2 PHE A 112 7.074 3.444 12.093 1.00 0.00 C ATOM 1417 CE1 PHE A 112 8.958 3.615 14.078 1.00 0.00 C ATOM 1418 CE2 PHE A 112 8.405 3.534 11.760 1.00 0.00 C ATOM 1419 CZ PHE A 112 9.351 3.619 12.758 1.00 0.00 C ATOM 0 H PHE A 112 2.610 4.509 14.162 1.00 0.00 H new ATOM 0 HA PHE A 112 5.379 5.168 14.878 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.044 2.653 14.508 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.656 3.050 12.846 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.311 3.535 15.427 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.335 3.374 11.308 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.696 3.678 14.864 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.707 3.538 10.723 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.399 3.689 12.506 1.00 0.00 H new ATOM 1429 N ASP A 113 5.563 6.247 12.547 1.00 0.00 N ATOM 1430 CA ASP A 113 5.506 7.071 11.378 1.00 0.00 C ATOM 1431 C ASP A 113 6.844 7.296 10.796 1.00 0.00 C ATOM 1432 O ASP A 113 7.859 7.313 11.496 1.00 0.00 O ATOM 1433 CB ASP A 113 4.815 8.411 11.637 1.00 0.00 C ATOM 1434 CG ASP A 113 5.585 9.326 12.586 1.00 0.00 C ATOM 1435 OD1 ASP A 113 6.442 10.107 12.131 1.00 0.00 O ATOM 1436 OD2 ASP A 113 5.313 9.298 13.810 1.00 0.00 O ATOM 0 H ASP A 113 6.472 6.228 13.010 1.00 0.00 H new ATOM 0 HA ASP A 113 4.903 6.519 10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.672 8.926 10.687 1.00 0.00 H new ATOM 0 HB3 ASP A 113 3.824 8.225 12.051 1.00 0.00 H new ATOM 1441 N LYS A 114 6.842 7.397 9.500 1.00 0.00 N ATOM 1442 CA LYS A 114 7.993 7.748 8.750 1.00 0.00 C ATOM 1443 C LYS A 114 7.599 8.903 7.852 1.00 0.00 C ATOM 1444 O LYS A 114 7.486 8.760 6.650 1.00 0.00 O ATOM 1445 CB LYS A 114 8.410 6.578 7.888 1.00 0.00 C ATOM 1446 CG LYS A 114 8.846 5.340 8.625 1.00 0.00 C ATOM 1447 CD LYS A 114 10.234 5.470 9.209 1.00 0.00 C ATOM 1448 CE LYS A 114 11.283 5.574 8.107 1.00 0.00 C ATOM 1449 NZ LYS A 114 11.288 4.431 7.209 1.00 0.00 N ATOM 0 H LYS A 114 6.014 7.232 8.928 1.00 0.00 H new ATOM 0 HA LYS A 114 8.819 8.017 9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.576 6.315 7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.228 6.900 7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.137 5.130 9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.820 4.489 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.283 6.352 9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.449 4.608 9.840 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.104 6.481 7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.269 5.675 8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.265 4.220 6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.885 3.605 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.718 4.649 6.367 1.00 0.00 H new ATOM 1463 N TRP A 115 7.362 10.025 8.438 1.00 0.00 N ATOM 1464 CA TRP A 115 6.900 11.178 7.698 1.00 0.00 C ATOM 1465 C TRP A 115 8.037 11.944 7.063 1.00 0.00 C ATOM 1466 O TRP A 115 9.194 11.848 7.489 1.00 0.00 O ATOM 1467 CB TRP A 115 6.073 12.112 8.579 1.00 0.00 C ATOM 1468 CG TRP A 115 4.731 11.615 8.947 1.00 0.00 C ATOM 1469 CD1 TRP A 115 4.295 11.308 10.157 1.00 0.00 C ATOM 1470 CD2 TRP A 115 3.657 11.409 8.074 1.00 0.00 C ATOM 1471 NE1 TRP A 115 2.989 10.910 10.118 1.00 0.00 N ATOM 1472 CE2 TRP A 115 2.573 10.963 8.836 1.00 0.00 C ATOM 1473 CE3 TRP A 115 3.509 11.556 6.729 1.00 0.00 C ATOM 1474 CZ2 TRP A 115 1.351 10.665 8.276 1.00 0.00 C ATOM 1475 CZ3 TRP A 115 2.317 11.264 6.175 1.00 0.00 C ATOM 1476 CH2 TRP A 115 1.242 10.825 6.930 1.00 0.00 C ATOM 0 H TRP A 115 7.478 10.183 9.439 1.00 0.00 H new ATOM 0 HA TRP A 115 6.266 10.794 6.899 1.00 0.00 H new ATOM 0 HB2 TRP A 115 6.632 12.310 9.494 1.00 0.00 H new ATOM 0 HB3 TRP A 115 5.960 13.065 8.062 1.00 0.00 H new ATOM 0 HD1 TRP A 115 4.892 11.364 11.056 1.00 0.00 H new ATOM 0 HE1 TRP A 115 2.426 10.623 10.919 1.00 0.00 H new ATOM 0 HE3 TRP A 115 4.331 11.900 6.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 0.521 10.322 8.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 2.195 11.376 5.108 1.00 0.00 H new ATOM 0 HH2 TRP A 115 0.303 10.607 6.443 1.00 0.00 H new ATOM 1487 N THR A 116 7.704 12.683 6.040 1.00 0.00 N ATOM 1488 CA THR A 116 8.635 13.528 5.379 1.00 0.00 C ATOM 1489 C THR A 116 8.030 14.920 5.327 1.00 0.00 C ATOM 1490 O THR A 116 6.843 15.090 5.666 1.00 0.00 O ATOM 1491 CB THR A 116 8.942 13.024 3.946 1.00 0.00 C ATOM 1492 OG1 THR A 116 10.055 13.732 3.399 1.00 0.00 O ATOM 1493 CG2 THR A 116 7.747 13.172 3.009 1.00 0.00 C ATOM 0 H THR A 116 6.764 12.709 5.644 1.00 0.00 H new ATOM 0 HA THR A 116 9.579 13.532 5.924 1.00 0.00 H new ATOM 0 HB THR A 116 9.175 11.963 4.030 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.794 13.108 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 116 8.014 12.805 2.018 1.00 0.00 H new ATOM 0 HG22 THR A 116 6.907 12.594 3.396 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.465 14.223 2.943 1.00 0.00 H new ATOM 1593 N LEU A 124 -4.339 19.086 3.875 1.00 0.00 N ATOM 1594 CA LEU A 124 -3.535 18.369 2.925 1.00 0.00 C ATOM 1595 C LEU A 124 -4.408 17.342 2.202 1.00 0.00 C ATOM 1596 O LEU A 124 -3.975 16.270 1.815 1.00 0.00 O ATOM 1597 CB LEU A 124 -2.306 17.716 3.621 1.00 0.00 C ATOM 1598 CG LEU A 124 -2.458 17.087 5.033 1.00 0.00 C ATOM 1599 CD1 LEU A 124 -2.678 18.093 6.148 1.00 0.00 C ATOM 1600 CD2 LEU A 124 -3.496 16.015 5.056 1.00 0.00 C ATOM 0 HA LEU A 124 -3.137 19.060 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.934 16.936 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.528 18.477 3.687 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.490 16.631 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.774 17.568 7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.830 18.776 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.589 18.659 5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.570 15.602 6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.459 16.434 4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.218 15.225 4.359 1.00 0.00 H new ATOM 1612 N VAL A 125 -5.619 17.749 1.957 1.00 0.00 N ATOM 1613 CA VAL A 125 -6.666 16.906 1.400 1.00 0.00 C ATOM 1614 C VAL A 125 -6.519 16.793 -0.133 1.00 0.00 C ATOM 1615 O VAL A 125 -7.160 15.958 -0.789 1.00 0.00 O ATOM 1616 CB VAL A 125 -8.072 17.483 1.801 1.00 0.00 C ATOM 1617 CG1 VAL A 125 -9.236 16.661 1.262 1.00 0.00 C ATOM 1618 CG2 VAL A 125 -8.178 17.597 3.308 1.00 0.00 C ATOM 0 H VAL A 125 -5.927 18.704 2.141 1.00 0.00 H new ATOM 0 HA VAL A 125 -6.574 15.900 1.809 1.00 0.00 H new ATOM 0 HB VAL A 125 -8.144 18.470 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -10.177 17.114 1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -9.190 16.635 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -9.175 15.645 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -9.156 17.998 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -8.055 16.611 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -7.399 18.264 3.678 1.00 0.00 H new ATOM 1628 N ASP A 126 -5.659 17.604 -0.676 1.00 0.00 N ATOM 1629 CA ASP A 126 -5.400 17.627 -2.118 1.00 0.00 C ATOM 1630 C ASP A 126 -4.498 16.464 -2.544 1.00 0.00 C ATOM 1631 O ASP A 126 -4.444 16.079 -3.710 1.00 0.00 O ATOM 1632 CB ASP A 126 -4.789 18.975 -2.505 1.00 0.00 C ATOM 1633 CG ASP A 126 -4.411 19.087 -3.959 1.00 0.00 C ATOM 1634 OD1 ASP A 126 -5.284 19.398 -4.798 1.00 0.00 O ATOM 1635 OD2 ASP A 126 -3.212 18.913 -4.286 1.00 0.00 O ATOM 0 H ASP A 126 -5.107 18.277 -0.145 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.345 17.503 -2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -5.499 19.766 -2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -3.901 19.147 -1.896 1.00 0.00 H new ATOM 1640 N THR A 127 -3.862 15.882 -1.590 1.00 0.00 N ATOM 1641 CA THR A 127 -2.914 14.826 -1.812 1.00 0.00 C ATOM 1642 C THR A 127 -3.289 13.646 -0.926 1.00 0.00 C ATOM 1643 O THR A 127 -4.242 13.752 -0.147 1.00 0.00 O ATOM 1644 CB THR A 127 -1.484 15.350 -1.500 1.00 0.00 C ATOM 1645 OG1 THR A 127 -0.480 14.320 -1.610 1.00 0.00 O ATOM 1646 CG2 THR A 127 -1.439 16.000 -0.135 1.00 0.00 C ATOM 0 H THR A 127 -3.983 16.126 -0.607 1.00 0.00 H new ATOM 0 HA THR A 127 -2.929 14.497 -2.851 1.00 0.00 H new ATOM 0 HB THR A 127 -1.250 16.100 -2.255 1.00 0.00 H new ATOM 0 HG1 THR A 127 0.401 14.699 -1.407 1.00 0.00 H new ATOM 0 HG21 THR A 127 -0.429 16.360 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 127 -2.135 16.839 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 127 -1.720 15.271 0.625 1.00 0.00 H new ATOM 1654 N CYS A 128 -2.571 12.541 -1.034 1.00 0.00 N ATOM 1655 CA CYS A 128 -2.869 11.371 -0.235 1.00 0.00 C ATOM 1656 C CYS A 128 -1.634 10.951 0.542 1.00 0.00 C ATOM 1657 O CYS A 128 -0.636 11.676 0.564 1.00 0.00 O ATOM 1658 CB CYS A 128 -3.293 10.195 -1.082 1.00 0.00 C ATOM 1659 SG CYS A 128 -3.985 10.569 -2.719 1.00 0.00 S ATOM 0 H CYS A 128 -1.779 12.432 -1.667 1.00 0.00 H new ATOM 0 HA CYS A 128 -3.687 11.645 0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.428 9.546 -1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -4.034 9.624 -0.523 1.00 0.00 H new ATOM 1664 N ALA A 129 -1.671 9.755 1.137 1.00 0.00 N ATOM 1665 CA ALA A 129 -0.537 9.284 1.859 1.00 0.00 C ATOM 1666 C ALA A 129 0.035 8.110 1.156 1.00 0.00 C ATOM 1667 O ALA A 129 -0.608 7.092 1.024 1.00 0.00 O ATOM 1668 CB ALA A 129 -0.952 8.829 3.270 1.00 0.00 C ATOM 0 H ALA A 129 -2.470 9.121 1.121 1.00 0.00 H new ATOM 0 HA ALA A 129 0.190 10.093 1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.075 8.472 3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -1.392 9.668 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -1.683 8.024 3.192 1.00 0.00 H new ATOM 1674 N PHE A 130 1.250 8.207 0.755 1.00 0.00 N ATOM 1675 CA PHE A 130 1.879 7.096 0.158 1.00 0.00 C ATOM 1676 C PHE A 130 3.204 6.933 0.774 1.00 0.00 C ATOM 1677 O PHE A 130 3.916 7.918 1.005 1.00 0.00 O ATOM 1678 CB PHE A 130 2.109 7.216 -1.356 1.00 0.00 C ATOM 1679 CG PHE A 130 0.911 7.217 -2.308 1.00 0.00 C ATOM 1680 CD1 PHE A 130 -0.200 8.005 -2.111 1.00 0.00 C ATOM 1681 CD2 PHE A 130 0.947 6.410 -3.441 1.00 0.00 C ATOM 1682 CE1 PHE A 130 -1.248 7.986 -3.017 1.00 0.00 C ATOM 1683 CE2 PHE A 130 -0.095 6.388 -4.340 1.00 0.00 C ATOM 1684 CZ PHE A 130 -1.194 7.178 -4.127 1.00 0.00 C ATOM 0 H PHE A 130 1.825 9.046 0.831 1.00 0.00 H new ATOM 0 HA PHE A 130 1.205 6.254 0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 130 2.663 8.139 -1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 130 2.760 6.393 -1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -0.255 8.644 -1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 130 1.811 5.787 -3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -2.113 8.610 -2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -0.047 5.750 -5.210 1.00 0.00 H new ATOM 0 HZ PHE A 130 -2.015 7.166 -4.829 1.00 0.00 H new ATOM 1694 N LEU A 131 3.491 5.750 1.102 1.00 0.00 N ATOM 1695 CA LEU A 131 4.807 5.375 1.519 1.00 0.00 C ATOM 1696 C LEU A 131 5.754 5.246 0.324 1.00 0.00 C ATOM 1697 O LEU A 131 5.463 4.549 -0.638 1.00 0.00 O ATOM 1698 CB LEU A 131 4.714 4.091 2.246 1.00 0.00 C ATOM 1699 CG LEU A 131 5.975 3.342 2.486 1.00 0.00 C ATOM 1700 CD1 LEU A 131 6.919 4.107 3.323 1.00 0.00 C ATOM 1701 CD2 LEU A 131 5.685 2.000 3.064 1.00 0.00 C ATOM 0 H LEU A 131 2.820 4.982 1.096 1.00 0.00 H new ATOM 0 HA LEU A 131 5.215 6.149 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 131 4.250 4.286 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 131 4.037 3.440 1.693 1.00 0.00 H new ATOM 0 HG LEU A 131 6.464 3.195 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 131 7.827 3.523 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.169 5.044 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.460 4.319 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 131 6.620 1.467 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.159 2.118 4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.063 1.432 2.372 1.00 0.00 H new ATOM 1713 N HIS A 132 6.873 5.931 0.400 1.00 0.00 N ATOM 1714 CA HIS A 132 7.872 5.909 -0.654 1.00 0.00 C ATOM 1715 C HIS A 132 8.638 4.626 -0.633 1.00 0.00 C ATOM 1716 O HIS A 132 9.373 4.376 0.272 1.00 0.00 O ATOM 1717 CB HIS A 132 8.870 7.073 -0.508 1.00 0.00 C ATOM 1718 CG HIS A 132 9.713 7.339 -1.732 1.00 0.00 C ATOM 1719 ND1 HIS A 132 10.797 8.158 -1.737 1.00 0.00 N ATOM 1720 CD2 HIS A 132 9.604 6.889 -2.983 1.00 0.00 C ATOM 1721 CE1 HIS A 132 11.312 8.204 -2.939 1.00 0.00 C ATOM 1722 NE2 HIS A 132 10.600 7.443 -3.716 1.00 0.00 N ATOM 0 H HIS A 132 7.120 6.521 1.194 1.00 0.00 H new ATOM 0 HA HIS A 132 7.337 6.008 -1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 132 8.317 7.979 -0.261 1.00 0.00 H new ATOM 0 HB3 HIS A 132 9.531 6.864 0.333 1.00 0.00 H new ATOM 0 HD1 HIS A 132 11.156 8.661 -0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 132 8.854 6.203 -3.348 1.00 0.00 H new ATOM 0 HE1 HIS A 132 12.179 8.776 -3.235 1.00 0.00 H new ATOM 1731 N ILE A 133 8.520 3.901 -1.684 1.00 0.00 N ATOM 1732 CA ILE A 133 9.193 2.651 -1.918 1.00 0.00 C ATOM 1733 C ILE A 133 10.703 2.777 -1.850 1.00 0.00 C ATOM 1734 O ILE A 133 11.401 1.820 -1.524 1.00 0.00 O ATOM 1735 CB ILE A 133 8.746 2.092 -3.293 1.00 0.00 C ATOM 1736 CG1 ILE A 133 7.495 1.224 -3.169 1.00 0.00 C ATOM 1737 CG2 ILE A 133 9.853 1.460 -4.133 1.00 0.00 C ATOM 1738 CD1 ILE A 133 7.582 0.180 -2.125 1.00 0.00 C ATOM 0 H ILE A 133 7.916 4.171 -2.460 1.00 0.00 H new ATOM 0 HA ILE A 133 8.913 1.960 -1.123 1.00 0.00 H new ATOM 0 HB ILE A 133 8.472 2.967 -3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 133 6.641 1.866 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 133 7.301 0.746 -4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.436 1.101 -5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.624 2.203 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.291 0.624 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.654 -0.391 -2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 133 8.414 -0.488 -2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.743 0.649 -1.154 1.00 0.00 H new ATOM 1750 N LYS A 134 11.187 3.934 -2.163 1.00 0.00 N ATOM 1751 CA LYS A 134 12.606 4.155 -2.158 1.00 0.00 C ATOM 1752 C LYS A 134 13.126 4.513 -0.780 1.00 0.00 C ATOM 1753 O LYS A 134 14.035 3.869 -0.283 1.00 0.00 O ATOM 1754 CB LYS A 134 13.002 5.221 -3.159 1.00 0.00 C ATOM 1755 CG LYS A 134 12.694 4.885 -4.619 1.00 0.00 C ATOM 1756 CD LYS A 134 13.472 3.708 -5.129 1.00 0.00 C ATOM 1757 CE LYS A 134 14.905 4.057 -5.158 1.00 0.00 C ATOM 1758 NZ LYS A 134 15.705 3.072 -5.912 1.00 0.00 N ATOM 0 H LYS A 134 10.626 4.744 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 134 13.066 3.212 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 134 12.491 6.149 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.071 5.408 -3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.628 4.680 -4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 134 12.913 5.754 -5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 134 13.308 2.842 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.131 3.435 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 134 15.028 5.042 -5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 134 15.282 4.123 -4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 16.705 3.359 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.610 2.136 -5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 15.365 3.027 -6.894 1.00 0.00 H new ATOM 1772 N THR A 135 12.526 5.505 -0.152 1.00 0.00 N ATOM 1773 CA THR A 135 13.086 6.012 1.113 1.00 0.00 C ATOM 1774 C THR A 135 12.270 5.636 2.338 1.00 0.00 C ATOM 1775 O THR A 135 12.751 5.725 3.463 1.00 0.00 O ATOM 1776 CB THR A 135 13.261 7.538 1.074 1.00 0.00 C ATOM 1777 OG1 THR A 135 12.028 8.156 0.667 1.00 0.00 O ATOM 1778 CG2 THR A 135 14.366 7.936 0.119 1.00 0.00 C ATOM 0 H THR A 135 11.678 5.972 -0.473 1.00 0.00 H new ATOM 0 HA THR A 135 14.057 5.526 1.207 1.00 0.00 H new ATOM 0 HB THR A 135 13.533 7.876 2.074 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.089 9.125 0.798 1.00 0.00 H new ATOM 0 HG21 THR A 135 14.467 9.021 0.112 1.00 0.00 H new ATOM 0 HG22 THR A 135 15.305 7.486 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 135 14.122 7.588 -0.885 1.00 0.00 H new ATOM 1786 N GLY A 136 11.038 5.249 2.125 1.00 0.00 N ATOM 1787 CA GLY A 136 10.187 4.901 3.225 1.00 0.00 C ATOM 1788 C GLY A 136 9.699 6.114 3.919 1.00 0.00 C ATOM 1789 O GLY A 136 9.715 6.188 5.136 1.00 0.00 O ATOM 0 H GLY A 136 10.607 5.168 1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.340 4.318 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.733 4.270 3.927 1.00 0.00 H new ATOM 1793 N GLU A 137 9.298 7.064 3.126 1.00 0.00 N ATOM 1794 CA GLU A 137 8.807 8.329 3.594 1.00 0.00 C ATOM 1795 C GLU A 137 7.363 8.457 3.224 1.00 0.00 C ATOM 1796 O GLU A 137 6.967 8.048 2.128 1.00 0.00 O ATOM 1797 CB GLU A 137 9.577 9.453 2.963 1.00 0.00 C ATOM 1798 CG GLU A 137 10.988 9.629 3.481 1.00 0.00 C ATOM 1799 CD GLU A 137 11.700 10.767 2.784 1.00 0.00 C ATOM 1800 OE1 GLU A 137 12.070 10.619 1.610 1.00 0.00 O ATOM 1801 OE2 GLU A 137 11.854 11.848 3.366 1.00 0.00 O ATOM 0 H GLU A 137 9.303 6.979 2.110 1.00 0.00 H new ATOM 0 HA GLU A 137 8.927 8.380 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 137 9.619 9.286 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 137 9.029 10.382 3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 137 10.961 9.819 4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 137 11.548 8.705 3.335 1.00 0.00 H new ATOM 1808 N TRP A 138 6.581 8.972 4.116 1.00 0.00 N ATOM 1809 CA TRP A 138 5.168 9.086 3.892 1.00 0.00 C ATOM 1810 C TRP A 138 4.774 10.482 3.508 1.00 0.00 C ATOM 1811 O TRP A 138 5.400 11.455 3.914 1.00 0.00 O ATOM 1812 CB TRP A 138 4.399 8.689 5.136 1.00 0.00 C ATOM 1813 CG TRP A 138 4.759 7.365 5.686 1.00 0.00 C ATOM 1814 CD1 TRP A 138 5.504 6.402 5.102 1.00 0.00 C ATOM 1815 CD2 TRP A 138 4.347 6.840 6.924 1.00 0.00 C ATOM 1816 NE1 TRP A 138 5.633 5.355 5.942 1.00 0.00 N ATOM 1817 CE2 TRP A 138 4.922 5.580 7.045 1.00 0.00 C ATOM 1818 CE3 TRP A 138 3.566 7.317 7.942 1.00 0.00 C ATOM 1819 CZ2 TRP A 138 4.744 4.785 8.130 1.00 0.00 C ATOM 1820 CZ3 TRP A 138 3.374 6.514 9.039 1.00 0.00 C ATOM 1821 CH2 TRP A 138 3.968 5.251 9.123 1.00 0.00 C ATOM 0 H TRP A 138 6.897 9.326 5.019 1.00 0.00 H new ATOM 0 HA TRP A 138 4.923 8.414 3.069 1.00 0.00 H new ATOM 0 HB2 TRP A 138 4.563 9.444 5.905 1.00 0.00 H new ATOM 0 HB3 TRP A 138 3.334 8.695 4.906 1.00 0.00 H new ATOM 0 HD1 TRP A 138 5.932 6.461 4.112 1.00 0.00 H new ATOM 0 HE1 TRP A 138 6.189 4.520 5.760 1.00 0.00 H new ATOM 0 HE3 TRP A 138 3.114 8.296 7.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 5.209 3.812 8.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 2.754 6.864 9.851 1.00 0.00 H new ATOM 0 HH2 TRP A 138 3.801 4.641 9.999 1.00 0.00 H new ATOM 1832 N LYS A 139 3.706 10.558 2.790 1.00 0.00 N ATOM 1833 CA LYS A 139 3.116 11.787 2.339 1.00 0.00 C ATOM 1834 C LYS A 139 1.842 11.947 3.016 1.00 0.00 C ATOM 1835 O LYS A 139 1.205 10.982 3.345 1.00 0.00 O ATOM 1836 CB LYS A 139 2.921 11.768 0.839 1.00 0.00 C ATOM 1837 CG LYS A 139 4.203 12.009 0.138 1.00 0.00 C ATOM 1838 CD LYS A 139 4.117 11.885 -1.374 1.00 0.00 C ATOM 1839 CE LYS A 139 3.755 10.487 -1.836 1.00 0.00 C ATOM 1840 NZ LYS A 139 3.789 10.380 -3.314 1.00 0.00 N ATOM 0 H LYS A 139 3.192 9.732 2.484 1.00 0.00 H new ATOM 0 HA LYS A 139 3.774 12.624 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 139 2.510 10.806 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.196 12.530 0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.560 13.007 0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 139 4.945 11.302 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 139 3.374 12.589 -1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 139 5.074 12.169 -1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 139 4.449 9.768 -1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 139 2.760 10.229 -1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 3.537 9.412 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 3.109 11.050 -3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 4.745 10.603 -3.656 1.00 0.00 H new ATOM 1854 N LYS A 140 1.515 13.134 3.290 1.00 0.00 N ATOM 1855 CA LYS A 140 0.312 13.413 4.028 1.00 0.00 C ATOM 1856 C LYS A 140 -0.841 13.638 3.124 1.00 0.00 C ATOM 1857 O LYS A 140 -0.698 14.315 2.135 1.00 0.00 O ATOM 1858 CB LYS A 140 0.489 14.613 4.916 1.00 0.00 C ATOM 1859 CG LYS A 140 1.459 14.398 6.026 1.00 0.00 C ATOM 1860 CD LYS A 140 1.403 15.515 6.989 1.00 0.00 C ATOM 1861 CE LYS A 140 2.364 15.284 8.138 1.00 0.00 C ATOM 1862 NZ LYS A 140 2.206 16.287 9.206 1.00 0.00 N ATOM 0 H LYS A 140 2.054 13.957 3.022 1.00 0.00 H new ATOM 0 HA LYS A 140 0.108 12.537 4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 140 0.824 15.456 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.478 14.888 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 140 1.235 13.460 6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 140 2.468 14.309 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 140 1.650 16.449 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 140 0.388 15.619 7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 140 2.202 14.288 8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 140 3.388 15.312 7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 2.883 16.090 9.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 2.386 17.236 8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 1.237 16.244 9.582 1.00 0.00 H new ATOM 1876 N GLY A 141 -1.968 13.062 3.458 1.00 0.00 N ATOM 1877 CA GLY A 141 -3.145 13.286 2.704 1.00 0.00 C ATOM 1878 C GLY A 141 -4.131 12.164 2.817 1.00 0.00 C ATOM 1879 O GLY A 141 -3.985 11.265 3.640 1.00 0.00 O ATOM 0 H GLY A 141 -2.081 12.434 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -3.615 14.211 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.879 13.425 1.656 1.00 0.00 H new ATOM 1883 N ASN A 142 -5.098 12.222 1.959 1.00 0.00 N ATOM 1884 CA ASN A 142 -6.161 11.261 1.831 1.00 0.00 C ATOM 1885 C ASN A 142 -6.383 11.025 0.357 1.00 0.00 C ATOM 1886 O ASN A 142 -6.408 11.972 -0.417 1.00 0.00 O ATOM 1887 CB ASN A 142 -7.463 11.735 2.540 1.00 0.00 C ATOM 1888 CG ASN A 142 -7.921 13.194 2.275 1.00 0.00 C ATOM 1889 OD1 ASN A 142 -8.531 13.823 3.132 1.00 0.00 O ATOM 1890 ND2 ASN A 142 -7.642 13.738 1.122 1.00 0.00 N ATOM 0 H ASN A 142 -5.177 12.984 1.286 1.00 0.00 H new ATOM 0 HA ASN A 142 -5.882 10.330 2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 142 -8.272 11.067 2.243 1.00 0.00 H new ATOM 0 HB3 ASN A 142 -7.327 11.613 3.615 1.00 0.00 H new ATOM 0 HD21 ASN A 142 -7.932 14.696 0.927 1.00 0.00 H new ATOM 0 HD22 ASN A 142 -7.134 13.205 0.416 1.00 0.00 H new ATOM 1897 N CYS A 143 -6.501 9.801 -0.071 1.00 0.00 N ATOM 1898 CA CYS A 143 -6.588 9.575 -1.489 1.00 0.00 C ATOM 1899 C CYS A 143 -7.955 9.690 -2.035 1.00 0.00 C ATOM 1900 O CYS A 143 -8.585 8.727 -2.412 1.00 0.00 O ATOM 1901 CB CYS A 143 -5.868 8.346 -1.975 1.00 0.00 C ATOM 1902 SG CYS A 143 -4.673 8.752 -3.286 1.00 0.00 S ATOM 0 H CYS A 143 -6.539 8.968 0.516 1.00 0.00 H new ATOM 0 HA CYS A 143 -6.031 10.412 -1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.349 7.873 -1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -6.592 7.623 -2.351 1.00 0.00 H new ATOM 1907 N GLU A 144 -8.398 10.893 -2.046 1.00 0.00 N ATOM 1908 CA GLU A 144 -9.667 11.274 -2.591 1.00 0.00 C ATOM 1909 C GLU A 144 -9.468 11.680 -4.064 1.00 0.00 C ATOM 1910 O GLU A 144 -10.132 12.577 -4.593 1.00 0.00 O ATOM 1911 CB GLU A 144 -10.230 12.422 -1.756 1.00 0.00 C ATOM 1912 CG GLU A 144 -10.427 12.090 -0.267 1.00 0.00 C ATOM 1913 CD GLU A 144 -11.455 11.034 -0.025 1.00 0.00 C ATOM 1914 OE1 GLU A 144 -12.659 11.283 -0.264 1.00 0.00 O ATOM 1915 OE2 GLU A 144 -11.096 9.933 0.436 1.00 0.00 O ATOM 0 H GLU A 144 -7.872 11.678 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 144 -10.379 10.449 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -9.560 13.278 -1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -11.188 12.725 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -9.476 11.764 0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -10.716 12.997 0.264 1.00 0.00 H new ATOM 1922 N VAL A 145 -8.562 10.985 -4.708 1.00 0.00 N ATOM 1923 CA VAL A 145 -8.226 11.195 -6.100 1.00 0.00 C ATOM 1924 C VAL A 145 -8.298 9.866 -6.820 1.00 0.00 C ATOM 1925 O VAL A 145 -8.150 8.820 -6.203 1.00 0.00 O ATOM 1926 CB VAL A 145 -6.805 11.808 -6.286 1.00 0.00 C ATOM 1927 CG1 VAL A 145 -6.685 13.078 -5.500 1.00 0.00 C ATOM 1928 CG2 VAL A 145 -5.699 10.837 -5.895 1.00 0.00 C ATOM 0 H VAL A 145 -8.023 10.238 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 145 -8.940 11.907 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 145 -6.681 12.024 -7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -5.688 13.498 -5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -7.431 13.793 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -6.848 12.868 -4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -4.729 11.312 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -5.812 10.560 -4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -5.764 9.943 -6.515 1.00 0.00 H new ATOM 1938 N SER A 146 -8.481 9.910 -8.105 1.00 0.00 N ATOM 1939 CA SER A 146 -8.648 8.711 -8.905 1.00 0.00 C ATOM 1940 C SER A 146 -7.344 8.056 -9.314 1.00 0.00 C ATOM 1941 O SER A 146 -7.346 6.966 -9.876 1.00 0.00 O ATOM 1942 CB SER A 146 -9.481 9.010 -10.109 1.00 0.00 C ATOM 1943 OG SER A 146 -10.717 9.573 -9.710 1.00 0.00 O ATOM 0 H SER A 146 -8.521 10.777 -8.641 1.00 0.00 H new ATOM 0 HA SER A 146 -9.157 7.988 -8.267 1.00 0.00 H new ATOM 0 HB2 SER A 146 -8.952 9.700 -10.766 1.00 0.00 H new ATOM 0 HB3 SER A 146 -9.654 8.097 -10.679 1.00 0.00 H new ATOM 0 HG SER A 146 -11.026 9.136 -8.889 1.00 0.00 H new ATOM 1949 N SER A 147 -6.247 8.688 -8.997 1.00 0.00 N ATOM 1950 CA SER A 147 -4.937 8.265 -9.450 1.00 0.00 C ATOM 1951 C SER A 147 -4.377 7.027 -8.706 1.00 0.00 C ATOM 1952 O SER A 147 -3.171 6.769 -8.744 1.00 0.00 O ATOM 1953 CB SER A 147 -3.997 9.441 -9.321 1.00 0.00 C ATOM 1954 OG SER A 147 -4.586 10.606 -9.908 1.00 0.00 O ATOM 0 H SER A 147 -6.231 9.522 -8.410 1.00 0.00 H new ATOM 0 HA SER A 147 -5.031 7.945 -10.488 1.00 0.00 H new ATOM 0 HB2 SER A 147 -3.775 9.626 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 147 -3.050 9.216 -9.812 1.00 0.00 H new ATOM 0 HG SER A 147 -3.971 11.364 -9.819 1.00 0.00 H new ATOM 1960 N VAL A 148 -5.230 6.236 -8.105 1.00 0.00 N ATOM 1961 CA VAL A 148 -4.742 5.070 -7.407 1.00 0.00 C ATOM 1962 C VAL A 148 -5.023 3.831 -8.203 1.00 0.00 C ATOM 1963 O VAL A 148 -6.171 3.509 -8.520 1.00 0.00 O ATOM 1964 CB VAL A 148 -5.267 4.878 -5.989 1.00 0.00 C ATOM 1965 CG1 VAL A 148 -4.351 3.915 -5.265 1.00 0.00 C ATOM 1966 CG2 VAL A 148 -5.389 6.201 -5.273 1.00 0.00 C ATOM 0 H VAL A 148 -6.241 6.371 -8.083 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.672 5.248 -7.304 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.271 4.455 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.712 3.765 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -4.339 2.960 -5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.342 4.325 -5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -5.766 6.035 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -4.410 6.678 -5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -6.079 6.846 -5.816 1.00 0.00 H new ATOM 1976 N GLU A 149 -3.973 3.167 -8.522 1.00 0.00 N ATOM 1977 CA GLU A 149 -4.005 1.992 -9.353 1.00 0.00 C ATOM 1978 C GLU A 149 -3.440 0.804 -8.645 1.00 0.00 C ATOM 1979 O GLU A 149 -3.176 -0.208 -9.267 1.00 0.00 O ATOM 1980 CB GLU A 149 -3.290 2.216 -10.668 1.00 0.00 C ATOM 1981 CG GLU A 149 -3.945 3.255 -11.547 1.00 0.00 C ATOM 1982 CD GLU A 149 -3.176 3.520 -12.810 1.00 0.00 C ATOM 1983 OE1 GLU A 149 -2.248 4.360 -12.806 1.00 0.00 O ATOM 1984 OE2 GLU A 149 -3.498 2.900 -13.846 1.00 0.00 O ATOM 0 H GLU A 149 -3.036 3.422 -8.210 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.053 1.789 -9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -2.263 2.520 -10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -3.242 1.272 -11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -4.952 2.925 -11.803 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -4.047 4.185 -10.988 1.00 0.00 H new ATOM 1991 N GLY A 150 -3.220 0.941 -7.373 1.00 0.00 N ATOM 1992 CA GLY A 150 -2.696 -0.130 -6.605 1.00 0.00 C ATOM 1993 C GLY A 150 -2.615 0.232 -5.162 1.00 0.00 C ATOM 1994 O GLY A 150 -2.191 1.334 -4.818 1.00 0.00 O ATOM 0 H GLY A 150 -3.400 1.796 -6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -3.326 -1.011 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.704 -0.394 -6.973 1.00 0.00 H new ATOM 1998 N THR A 151 -3.028 -0.656 -4.332 1.00 0.00 N ATOM 1999 CA THR A 151 -2.941 -0.467 -2.927 1.00 0.00 C ATOM 2000 C THR A 151 -2.419 -1.713 -2.309 1.00 0.00 C ATOM 2001 O THR A 151 -2.558 -2.818 -2.882 1.00 0.00 O ATOM 2002 CB THR A 151 -4.300 -0.078 -2.266 1.00 0.00 C ATOM 2003 OG1 THR A 151 -4.162 -0.038 -0.843 1.00 0.00 O ATOM 2004 CG2 THR A 151 -5.416 -1.039 -2.637 1.00 0.00 C ATOM 0 H THR A 151 -3.441 -1.546 -4.611 1.00 0.00 H new ATOM 0 HA THR A 151 -2.267 0.372 -2.753 1.00 0.00 H new ATOM 0 HB THR A 151 -4.569 0.909 -2.644 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.206 -0.949 -0.484 1.00 0.00 H new ATOM 0 HG21 THR A 151 -6.341 -0.726 -2.153 1.00 0.00 H new ATOM 0 HG22 THR A 151 -5.554 -1.037 -3.718 1.00 0.00 H new ATOM 0 HG23 THR A 151 -5.155 -2.044 -2.306 1.00 0.00 H new ATOM 2012 N LEU A 152 -1.761 -1.559 -1.203 1.00 0.00 N ATOM 2013 CA LEU A 152 -1.317 -2.667 -0.496 1.00 0.00 C ATOM 2014 C LEU A 152 -2.344 -2.976 0.530 1.00 0.00 C ATOM 2015 O LEU A 152 -2.859 -2.080 1.215 1.00 0.00 O ATOM 2016 CB LEU A 152 0.004 -2.460 0.184 1.00 0.00 C ATOM 2017 CG LEU A 152 0.505 -3.748 0.810 1.00 0.00 C ATOM 2018 CD1 LEU A 152 1.149 -4.687 -0.147 1.00 0.00 C ATOM 2019 CD2 LEU A 152 1.328 -3.523 1.962 1.00 0.00 C ATOM 0 H LEU A 152 -1.529 -0.658 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.170 -3.481 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 152 0.735 -2.095 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.095 -1.693 0.952 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.402 -4.250 1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 152 1.477 -5.580 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.433 -4.967 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 152 2.010 -4.203 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.657 -4.480 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 152 2.198 -2.931 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 152 0.756 -2.986 2.719 1.00 0.00 H new ATOM 2031 N CYS A 153 -2.656 -4.182 0.628 1.00 0.00 N ATOM 2032 CA CYS A 153 -3.618 -4.604 1.540 1.00 0.00 C ATOM 2033 C CYS A 153 -2.963 -5.362 2.620 1.00 0.00 C ATOM 2034 O CYS A 153 -2.001 -6.103 2.388 1.00 0.00 O ATOM 2035 CB CYS A 153 -4.610 -5.453 0.844 1.00 0.00 C ATOM 2036 SG CYS A 153 -5.247 -4.664 -0.650 1.00 0.00 S ATOM 0 H CYS A 153 -2.245 -4.928 0.067 1.00 0.00 H new ATOM 0 HA CYS A 153 -4.129 -3.743 1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -4.151 -6.407 0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -5.437 -5.672 1.519 1.00 0.00 H new ATOM 2041 N LYS A 154 -3.460 -5.172 3.767 1.00 0.00 N ATOM 2042 CA LYS A 154 -2.991 -5.793 4.929 1.00 0.00 C ATOM 2043 C LYS A 154 -4.176 -6.347 5.662 1.00 0.00 C ATOM 2044 O LYS A 154 -5.230 -5.729 5.721 1.00 0.00 O ATOM 2045 CB LYS A 154 -2.205 -4.793 5.770 1.00 0.00 C ATOM 2046 CG LYS A 154 -1.816 -5.269 7.149 1.00 0.00 C ATOM 2047 CD LYS A 154 -0.921 -4.254 7.824 1.00 0.00 C ATOM 2048 CE LYS A 154 -0.695 -4.599 9.271 1.00 0.00 C ATOM 2049 NZ LYS A 154 -1.916 -4.377 10.046 1.00 0.00 N ATOM 0 H LYS A 154 -4.248 -4.545 3.932 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.309 -6.610 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.298 -4.522 5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -2.798 -3.884 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -2.710 -5.431 7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -1.301 -6.227 7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 154 0.037 -4.209 7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -1.371 -3.264 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -0.385 -5.640 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 154 0.115 -3.991 9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -1.696 -4.421 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -2.307 -3.441 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -2.614 -5.111 9.811 1.00 0.00 H new ATOM 2063 N THR A 155 -4.037 -7.511 6.132 1.00 0.00 N ATOM 2064 CA THR A 155 -5.075 -8.142 6.837 1.00 0.00 C ATOM 2065 C THR A 155 -4.482 -8.783 8.057 1.00 0.00 C ATOM 2066 O THR A 155 -3.406 -9.389 7.983 1.00 0.00 O ATOM 2067 CB THR A 155 -5.791 -9.206 5.933 1.00 0.00 C ATOM 2068 OG1 THR A 155 -6.909 -9.809 6.603 1.00 0.00 O ATOM 2069 CG2 THR A 155 -4.818 -10.293 5.493 1.00 0.00 C ATOM 0 H THR A 155 -3.187 -8.068 6.040 1.00 0.00 H new ATOM 0 HA THR A 155 -5.829 -7.412 7.132 1.00 0.00 H new ATOM 0 HB THR A 155 -6.160 -8.676 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 155 -7.331 -10.465 6.010 1.00 0.00 H new ATOM 0 HG21 THR A 155 -5.340 -11.017 4.868 1.00 0.00 H new ATOM 0 HG22 THR A 155 -4.003 -9.844 4.925 1.00 0.00 H new ATOM 0 HG23 THR A 155 -4.414 -10.796 6.371 1.00 0.00 H new ATOM 2077 N ALA A 156 -5.084 -8.556 9.175 1.00 0.00 N ATOM 2078 CA ALA A 156 -4.701 -9.254 10.347 1.00 0.00 C ATOM 2079 C ALA A 156 -5.173 -10.634 10.188 1.00 0.00 C ATOM 2080 O ALA A 156 -6.298 -10.853 9.716 1.00 0.00 O ATOM 2081 CB ALA A 156 -5.349 -8.688 11.556 1.00 0.00 C ATOM 0 H ALA A 156 -5.846 -7.889 9.299 1.00 0.00 H new ATOM 0 HA ALA A 156 -3.621 -9.184 10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -5.032 -9.249 12.435 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -5.060 -7.643 11.668 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -6.432 -8.756 11.454 1.00 0.00 H new