USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 589 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 150 TYR OH : rot 180:sc= -0.0665 USER MOD Set 1.2: A 171 ASN : amide:sc= -0.125 K(o=-0.19,f=-1.9!) USER MOD Set 2.1: A 146 ASN : amide:sc= -0.635 K(o=-1.3,f=-5.6!) USER MOD Set 2.2: A 147 HIS : no HD1:sc= -0.624 X(o=-1.3,f=-1.2) USER MOD Set 3.1: A 122 CYS SG : rot -174:sc= -3.46! USER MOD Set 3.2: A 123 ASN : amide:sc= -0.943 K(o=-4.4,f=-3.5) USER MOD Set 4.1: A 98 SER OG : rot -49:sc= 0.811 USER MOD Set 4.2: A 118 MET CE :methyl -160:sc= -0.0046 (180deg=-0.125) USER MOD Set 4.3: A 140 THR OG1 : rot 65:sc= 0.621 USER MOD Set 4.4: A 165 HIS : no HD1:sc= -1.94 X(o=-0.51,f=-0.25) USER MOD Single : A 96 THR OG1 : rot -22:sc= 0.0702 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 126 LYS NZ :NH3+ -159:sc= -0.017 (180deg=-0.138) USER MOD Single : A 127 MET CE :methyl -109:sc= -5.58! (180deg=-10.5!) USER MOD Single : A 129 THR OG1 : rot -160:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 HIS : no HE2:sc= -0.7 X(o=-0.7,f=-0.45) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 149 CYS SG : rot 180:sc= -4.74! USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot -60:sc= 1.11 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 56:sc= 0.877 USER MOD ----------------------------------------------------------------- ATOM 145 N THR A 96 11.230 1.243 -8.704 1.00 52.23 N ATOM 146 CA THR A 96 11.387 1.721 -7.337 1.00 13.24 C ATOM 147 C THR A 96 10.155 2.495 -6.880 1.00 44.31 C ATOM 148 O THR A 96 10.251 3.405 -6.055 1.00 72.30 O ATOM 149 CB THR A 96 12.627 2.623 -7.195 1.00 65.04 C ATOM 150 OG1 THR A 96 12.534 3.730 -8.099 1.00 60.21 O ATOM 151 CG2 THR A 96 13.901 1.839 -7.476 1.00 12.24 C ATOM 0 HA THR A 96 11.514 0.840 -6.708 1.00 13.24 H new ATOM 0 HB THR A 96 12.664 2.993 -6.170 1.00 65.04 H new ATOM 0 HG1 THR A 96 11.928 3.502 -8.835 1.00 60.21 H new ATOM 0 HG21 THR A 96 14.764 2.497 -7.370 1.00 12.24 H new ATOM 0 HG22 THR A 96 13.984 1.014 -6.768 1.00 12.24 H new ATOM 0 HG23 THR A 96 13.869 1.444 -8.491 1.00 12.24 H new ATOM 159 N THR A 97 8.997 2.129 -7.421 1.00 45.11 N ATOM 160 CA THR A 97 7.747 2.790 -7.070 1.00 32.43 C ATOM 161 C THR A 97 6.547 1.911 -7.406 1.00 45.15 C ATOM 162 O THR A 97 6.418 1.425 -8.530 1.00 53.41 O ATOM 163 CB THR A 97 7.600 4.139 -7.797 1.00 45.43 C ATOM 164 OG1 THR A 97 8.210 4.067 -9.091 1.00 2.21 O ATOM 165 CG2 THR A 97 8.239 5.260 -6.992 1.00 5.53 C ATOM 0 H THR A 97 8.899 1.378 -8.104 1.00 45.11 H new ATOM 0 HA THR A 97 7.775 2.967 -5.995 1.00 32.43 H new ATOM 0 HB THR A 97 6.537 4.353 -7.908 1.00 45.43 H new ATOM 0 HG1 THR A 97 8.111 4.928 -9.548 1.00 2.21 H new ATOM 0 HG21 THR A 97 8.123 6.203 -7.526 1.00 5.53 H new ATOM 0 HG22 THR A 97 7.754 5.331 -6.019 1.00 5.53 H new ATOM 0 HG23 THR A 97 9.300 5.050 -6.854 1.00 5.53 H new ATOM 173 N SER A 98 5.672 1.711 -6.426 1.00 42.22 N ATOM 174 CA SER A 98 4.484 0.888 -6.618 1.00 61.14 C ATOM 175 C SER A 98 3.232 1.755 -6.714 1.00 22.33 C ATOM 176 O SER A 98 3.181 2.856 -6.165 1.00 20.14 O ATOM 177 CB SER A 98 4.340 -0.112 -5.470 1.00 35.13 C ATOM 178 OG SER A 98 4.962 -1.345 -5.786 1.00 24.25 O ATOM 0 H SER A 98 5.763 2.108 -5.491 1.00 42.22 H new ATOM 0 HA SER A 98 4.598 0.341 -7.554 1.00 61.14 H new ATOM 0 HB2 SER A 98 4.785 0.302 -4.565 1.00 35.13 H new ATOM 0 HB3 SER A 98 3.284 -0.278 -5.258 1.00 35.13 H new ATOM 0 HG SER A 98 4.668 -1.642 -6.673 1.00 24.25 H new ATOM 184 N THR A 99 2.222 1.250 -7.416 1.00 23.44 N ATOM 185 CA THR A 99 0.970 1.976 -7.585 1.00 45.41 C ATOM 186 C THR A 99 -0.226 1.036 -7.506 1.00 74.32 C ATOM 187 O THR A 99 -0.108 -0.158 -7.781 1.00 32.41 O ATOM 188 CB THR A 99 0.933 2.725 -8.931 1.00 21.40 C ATOM 189 OG1 THR A 99 2.171 3.412 -9.144 1.00 11.43 O ATOM 190 CG2 THR A 99 -0.218 3.719 -8.966 1.00 22.14 C ATOM 0 H THR A 99 2.247 0.340 -7.877 1.00 23.44 H new ATOM 0 HA THR A 99 0.912 2.700 -6.773 1.00 45.41 H new ATOM 0 HB THR A 99 0.784 1.993 -9.725 1.00 21.40 H new ATOM 0 HG1 THR A 99 2.140 3.884 -10.002 1.00 11.43 H new ATOM 0 HG21 THR A 99 -0.224 4.236 -9.926 1.00 22.14 H new ATOM 0 HG22 THR A 99 -1.161 3.189 -8.834 1.00 22.14 H new ATOM 0 HG23 THR A 99 -0.095 4.446 -8.163 1.00 22.14 H new ATOM 198 N TRP A 100 -1.377 1.581 -7.130 1.00 54.02 N ATOM 199 CA TRP A 100 -2.597 0.789 -7.016 1.00 40.10 C ATOM 200 C TRP A 100 -3.830 1.648 -7.276 1.00 62.43 C ATOM 201 O TRP A 100 -3.970 2.735 -6.717 1.00 12.30 O ATOM 202 CB TRP A 100 -2.688 0.152 -5.629 1.00 23.24 C ATOM 203 CG TRP A 100 -1.530 -0.745 -5.310 1.00 60.32 C ATOM 204 CD1 TRP A 100 -1.339 -2.025 -5.749 1.00 15.51 C ATOM 205 CD2 TRP A 100 -0.404 -0.431 -4.483 1.00 54.11 C ATOM 206 NE1 TRP A 100 -0.163 -2.524 -5.244 1.00 72.33 N ATOM 207 CE2 TRP A 100 0.430 -1.566 -4.466 1.00 14.05 C ATOM 208 CE3 TRP A 100 -0.019 0.699 -3.757 1.00 42.45 C ATOM 209 CZ2 TRP A 100 1.623 -1.601 -3.750 1.00 23.23 C ATOM 210 CZ3 TRP A 100 1.166 0.663 -3.047 1.00 61.33 C ATOM 211 CH2 TRP A 100 1.976 -0.481 -3.048 1.00 42.41 C ATOM 0 H TRP A 100 -1.492 2.568 -6.899 1.00 54.02 H new ATOM 0 HA TRP A 100 -2.561 0.001 -7.768 1.00 40.10 H new ATOM 0 HB2 TRP A 100 -2.745 0.940 -4.878 1.00 23.24 H new ATOM 0 HB3 TRP A 100 -3.612 -0.422 -5.560 1.00 23.24 H new ATOM 0 HD1 TRP A 100 -2.013 -2.565 -6.397 1.00 15.51 H new ATOM 0 HE1 TRP A 100 0.208 -3.457 -5.420 1.00 72.33 H new ATOM 0 HE3 TRP A 100 -0.637 1.585 -3.751 1.00 42.45 H new ATOM 0 HZ2 TRP A 100 2.248 -2.482 -3.749 1.00 23.23 H new ATOM 0 HZ3 TRP A 100 1.473 1.531 -2.482 1.00 61.33 H new ATOM 0 HH2 TRP A 100 2.897 -0.478 -2.484 1.00 42.41 H new ATOM 222 N VAL A 101 -4.722 1.152 -8.128 1.00 43.24 N ATOM 223 CA VAL A 101 -5.944 1.874 -8.461 1.00 61.04 C ATOM 224 C VAL A 101 -7.174 1.143 -7.936 1.00 13.23 C ATOM 225 O VAL A 101 -7.489 0.038 -8.378 1.00 35.43 O ATOM 226 CB VAL A 101 -6.086 2.066 -9.983 1.00 64.21 C ATOM 227 CG1 VAL A 101 -7.248 2.994 -10.298 1.00 54.25 C ATOM 228 CG2 VAL A 101 -4.790 2.600 -10.575 1.00 52.21 C ATOM 0 H VAL A 101 -4.621 0.253 -8.600 1.00 43.24 H new ATOM 0 HA VAL A 101 -5.874 2.851 -7.984 1.00 61.04 H new ATOM 0 HB VAL A 101 -6.294 1.097 -10.437 1.00 64.21 H new ATOM 0 HG11 VAL A 101 -7.333 3.118 -11.378 1.00 54.25 H new ATOM 0 HG12 VAL A 101 -8.172 2.566 -9.908 1.00 54.25 H new ATOM 0 HG13 VAL A 101 -7.074 3.965 -9.834 1.00 54.25 H new ATOM 0 HG21 VAL A 101 -4.908 2.730 -11.651 1.00 52.21 H new ATOM 0 HG22 VAL A 101 -4.549 3.560 -10.118 1.00 52.21 H new ATOM 0 HG23 VAL A 101 -3.983 1.893 -10.381 1.00 52.21 H new ATOM 238 N LEU A 102 -7.867 1.768 -6.990 1.00 30.33 N ATOM 239 CA LEU A 102 -9.065 1.177 -6.403 1.00 0.32 C ATOM 240 C LEU A 102 -10.148 2.232 -6.199 1.00 71.22 C ATOM 241 O LEU A 102 -9.853 3.390 -5.904 1.00 20.12 O ATOM 242 CB LEU A 102 -8.728 0.512 -5.067 1.00 63.24 C ATOM 243 CG LEU A 102 -8.384 1.456 -3.915 1.00 32.02 C ATOM 244 CD1 LEU A 102 -9.081 1.015 -2.637 1.00 74.43 C ATOM 245 CD2 LEU A 102 -6.878 1.519 -3.708 1.00 1.20 C ATOM 0 H LEU A 102 -7.620 2.683 -6.613 1.00 30.33 H new ATOM 0 HA LEU A 102 -9.443 0.422 -7.093 1.00 0.32 H new ATOM 0 HB2 LEU A 102 -9.576 -0.102 -4.766 1.00 63.24 H new ATOM 0 HB3 LEU A 102 -7.885 -0.162 -5.222 1.00 63.24 H new ATOM 0 HG LEU A 102 -8.737 2.455 -4.172 1.00 32.02 H new ATOM 0 HD11 LEU A 102 -8.824 1.699 -1.828 1.00 74.43 H new ATOM 0 HD12 LEU A 102 -10.160 1.023 -2.790 1.00 74.43 H new ATOM 0 HD13 LEU A 102 -8.759 0.007 -2.376 1.00 74.43 H new ATOM 0 HD21 LEU A 102 -6.652 2.196 -2.884 1.00 1.20 H new ATOM 0 HD22 LEU A 102 -6.501 0.523 -3.474 1.00 1.20 H new ATOM 0 HD23 LEU A 102 -6.401 1.883 -4.618 1.00 1.20 H new ATOM 257 N ARG A 103 -11.403 1.822 -6.357 1.00 45.31 N ATOM 258 CA ARG A 103 -12.530 2.732 -6.190 1.00 22.54 C ATOM 259 C ARG A 103 -12.763 3.042 -4.714 1.00 52.10 C ATOM 260 O ARG A 103 -13.467 2.309 -4.018 1.00 10.01 O ATOM 261 CB ARG A 103 -13.795 2.127 -6.801 1.00 12.01 C ATOM 262 CG ARG A 103 -14.832 3.163 -7.203 1.00 32.00 C ATOM 263 CD ARG A 103 -16.225 2.557 -7.279 1.00 63.22 C ATOM 264 NE ARG A 103 -17.134 3.373 -8.079 1.00 61.03 N ATOM 265 CZ ARG A 103 -18.449 3.187 -8.116 1.00 63.15 C ATOM 266 NH1 ARG A 103 -19.005 2.218 -7.402 1.00 40.32 N ATOM 267 NH2 ARG A 103 -19.210 3.971 -8.869 1.00 41.10 N ATOM 0 H ARG A 103 -11.664 0.867 -6.600 1.00 45.31 H new ATOM 0 HA ARG A 103 -12.294 3.662 -6.706 1.00 22.54 H new ATOM 0 HB2 ARG A 103 -13.520 1.541 -7.678 1.00 12.01 H new ATOM 0 HB3 ARG A 103 -14.241 1.438 -6.084 1.00 12.01 H new ATOM 0 HG2 ARG A 103 -14.829 3.981 -6.483 1.00 32.00 H new ATOM 0 HG3 ARG A 103 -14.566 3.589 -8.170 1.00 32.00 H new ATOM 0 HD2 ARG A 103 -16.162 1.557 -7.708 1.00 63.22 H new ATOM 0 HD3 ARG A 103 -16.628 2.447 -6.272 1.00 63.22 H new ATOM 0 HE ARG A 103 -16.738 4.127 -8.640 1.00 61.03 H new ATOM 0 HH11 ARG A 103 -18.423 1.613 -6.822 1.00 40.32 H new ATOM 0 HH12 ARG A 103 -20.015 2.077 -7.432 1.00 40.32 H new ATOM 0 HH21 ARG A 103 -18.785 4.717 -9.420 1.00 41.10 H new ATOM 0 HH22 ARG A 103 -20.219 3.828 -8.897 1.00 41.10 H new ATOM 281 N LEU A 104 -12.168 4.132 -4.243 1.00 50.31 N ATOM 282 CA LEU A 104 -12.310 4.540 -2.850 1.00 13.33 C ATOM 283 C LEU A 104 -12.793 5.984 -2.752 1.00 20.14 C ATOM 284 O LEU A 104 -12.550 6.792 -3.648 1.00 12.42 O ATOM 285 CB LEU A 104 -10.978 4.385 -2.114 1.00 34.24 C ATOM 286 CG LEU A 104 -11.068 3.984 -0.641 1.00 33.32 C ATOM 287 CD1 LEU A 104 -9.993 2.964 -0.299 1.00 2.55 C ATOM 288 CD2 LEU A 104 -10.949 5.209 0.254 1.00 62.12 C ATOM 0 H LEU A 104 -11.582 4.749 -4.805 1.00 50.31 H new ATOM 0 HA LEU A 104 -13.054 3.895 -2.382 1.00 13.33 H new ATOM 0 HB2 LEU A 104 -10.381 3.638 -2.637 1.00 34.24 H new ATOM 0 HB3 LEU A 104 -10.437 5.329 -2.181 1.00 34.24 H new ATOM 0 HG LEU A 104 -12.042 3.526 -0.468 1.00 33.32 H new ATOM 0 HD11 LEU A 104 -10.073 2.690 0.753 1.00 2.55 H new ATOM 0 HD12 LEU A 104 -10.125 2.075 -0.916 1.00 2.55 H new ATOM 0 HD13 LEU A 104 -9.010 3.394 -0.489 1.00 2.55 H new ATOM 0 HD21 LEU A 104 -11.015 4.904 1.298 1.00 62.12 H new ATOM 0 HD22 LEU A 104 -9.990 5.696 0.078 1.00 62.12 H new ATOM 0 HD23 LEU A 104 -11.757 5.905 0.027 1.00 62.12 H new ATOM 300 N ASP A 105 -13.475 6.301 -1.657 1.00 34.11 N ATOM 301 CA ASP A 105 -13.989 7.648 -1.440 1.00 14.24 C ATOM 302 C ASP A 105 -15.041 8.004 -2.486 1.00 42.01 C ATOM 303 O ASP A 105 -15.391 9.171 -2.657 1.00 34.23 O ATOM 304 CB ASP A 105 -12.848 8.665 -1.479 1.00 42.22 C ATOM 305 CG ASP A 105 -13.155 9.912 -0.674 1.00 11.32 C ATOM 306 OD1 ASP A 105 -12.889 9.911 0.547 1.00 53.34 O ATOM 307 OD2 ASP A 105 -13.661 10.890 -1.264 1.00 64.40 O ATOM 0 H ASP A 105 -13.685 5.643 -0.906 1.00 34.11 H new ATOM 0 HA ASP A 105 -14.457 7.677 -0.456 1.00 14.24 H new ATOM 0 HB2 ASP A 105 -11.940 8.202 -1.094 1.00 42.22 H new ATOM 0 HB3 ASP A 105 -12.649 8.944 -2.514 1.00 42.22 H new ATOM 312 N GLY A 106 -15.540 6.989 -3.186 1.00 4.23 N ATOM 313 CA GLY A 106 -16.545 7.216 -4.208 1.00 23.34 C ATOM 314 C GLY A 106 -15.936 7.536 -5.558 1.00 52.24 C ATOM 315 O GLY A 106 -16.655 7.785 -6.526 1.00 5.11 O ATOM 0 H GLY A 106 -15.266 6.014 -3.063 1.00 4.23 H new ATOM 0 HA2 GLY A 106 -17.174 6.331 -4.297 1.00 23.34 H new ATOM 0 HA3 GLY A 106 -17.192 8.037 -3.901 1.00 23.34 H new ATOM 319 N GLU A 107 -14.608 7.532 -5.624 1.00 34.42 N ATOM 320 CA GLU A 107 -13.904 7.827 -6.866 1.00 75.22 C ATOM 321 C GLU A 107 -12.701 6.905 -7.042 1.00 11.01 C ATOM 322 O GLU A 107 -12.356 6.138 -6.143 1.00 15.25 O ATOM 323 CB GLU A 107 -13.449 9.287 -6.886 1.00 11.53 C ATOM 324 CG GLU A 107 -14.488 10.242 -7.450 1.00 73.50 C ATOM 325 CD GLU A 107 -15.085 11.147 -6.390 1.00 40.44 C ATOM 326 OE1 GLU A 107 -15.334 10.662 -5.267 1.00 25.40 O ATOM 327 OE2 GLU A 107 -15.304 12.341 -6.684 1.00 44.12 O ATOM 0 H GLU A 107 -13.999 7.328 -4.832 1.00 34.42 H new ATOM 0 HA GLU A 107 -14.593 7.658 -7.693 1.00 75.22 H new ATOM 0 HB2 GLU A 107 -13.199 9.594 -5.871 1.00 11.53 H new ATOM 0 HB3 GLU A 107 -12.537 9.366 -7.477 1.00 11.53 H new ATOM 0 HG2 GLU A 107 -14.030 10.853 -8.228 1.00 73.50 H new ATOM 0 HG3 GLU A 107 -15.285 9.668 -7.923 1.00 73.50 H new ATOM 334 N ASP A 108 -12.067 6.986 -8.206 1.00 63.23 N ATOM 335 CA ASP A 108 -10.902 6.160 -8.501 1.00 64.11 C ATOM 336 C ASP A 108 -9.703 6.591 -7.661 1.00 34.10 C ATOM 337 O ASP A 108 -8.899 7.421 -8.087 1.00 52.00 O ATOM 338 CB ASP A 108 -10.554 6.243 -9.988 1.00 41.12 C ATOM 339 CG ASP A 108 -11.281 5.199 -10.812 1.00 60.40 C ATOM 340 OD1 ASP A 108 -10.976 3.999 -10.651 1.00 63.40 O ATOM 341 OD2 ASP A 108 -12.155 5.581 -11.619 1.00 3.15 O ATOM 0 H ASP A 108 -12.340 7.615 -8.961 1.00 63.23 H new ATOM 0 HA ASP A 108 -11.147 5.128 -8.250 1.00 64.11 H new ATOM 0 HB2 ASP A 108 -10.805 7.236 -10.362 1.00 41.12 H new ATOM 0 HB3 ASP A 108 -9.479 6.117 -10.114 1.00 41.12 H new ATOM 346 N LEU A 109 -9.591 6.023 -6.465 1.00 63.15 N ATOM 347 CA LEU A 109 -8.491 6.349 -5.564 1.00 61.21 C ATOM 348 C LEU A 109 -7.173 5.789 -6.089 1.00 23.34 C ATOM 349 O LEU A 109 -7.064 4.597 -6.377 1.00 75.23 O ATOM 350 CB LEU A 109 -8.772 5.798 -4.165 1.00 62.20 C ATOM 351 CG LEU A 109 -7.966 6.420 -3.024 1.00 51.42 C ATOM 352 CD1 LEU A 109 -8.840 7.354 -2.201 1.00 41.23 C ATOM 353 CD2 LEU A 109 -7.364 5.336 -2.143 1.00 23.01 C ATOM 0 H LEU A 109 -10.248 5.335 -6.097 1.00 63.15 H new ATOM 0 HA LEU A 109 -8.407 7.434 -5.510 1.00 61.21 H new ATOM 0 HB2 LEU A 109 -9.832 5.932 -3.950 1.00 62.20 H new ATOM 0 HB3 LEU A 109 -8.582 4.725 -4.174 1.00 62.20 H new ATOM 0 HG LEU A 109 -7.152 7.003 -3.455 1.00 51.42 H new ATOM 0 HD11 LEU A 109 -8.250 7.787 -1.394 1.00 41.23 H new ATOM 0 HD12 LEU A 109 -9.223 8.151 -2.839 1.00 41.23 H new ATOM 0 HD13 LEU A 109 -9.675 6.794 -1.780 1.00 41.23 H new ATOM 0 HD21 LEU A 109 -6.794 5.797 -1.337 1.00 23.01 H new ATOM 0 HD22 LEU A 109 -8.162 4.726 -1.720 1.00 23.01 H new ATOM 0 HD23 LEU A 109 -6.704 4.707 -2.740 1.00 23.01 H new ATOM 365 N ARG A 110 -6.173 6.656 -6.207 1.00 63.12 N ATOM 366 CA ARG A 110 -4.861 6.247 -6.696 1.00 11.53 C ATOM 367 C ARG A 110 -3.838 6.237 -5.564 1.00 12.45 C ATOM 368 O ARG A 110 -3.539 7.276 -4.974 1.00 22.22 O ATOM 369 CB ARG A 110 -4.394 7.185 -7.811 1.00 32.31 C ATOM 370 CG ARG A 110 -3.553 6.496 -8.873 1.00 23.11 C ATOM 371 CD ARG A 110 -2.845 7.505 -9.764 1.00 32.20 C ATOM 372 NE ARG A 110 -2.439 6.919 -11.039 1.00 11.13 N ATOM 373 CZ ARG A 110 -2.029 7.636 -12.079 1.00 75.24 C ATOM 374 NH1 ARG A 110 -1.971 8.958 -11.997 1.00 34.34 N ATOM 375 NH2 ARG A 110 -1.676 7.030 -13.206 1.00 33.01 N ATOM 0 H ARG A 110 -6.246 7.646 -5.971 1.00 63.12 H new ATOM 0 HA ARG A 110 -4.948 5.236 -7.093 1.00 11.53 H new ATOM 0 HB2 ARG A 110 -5.266 7.635 -8.285 1.00 32.31 H new ATOM 0 HB3 ARG A 110 -3.815 7.998 -7.372 1.00 32.31 H new ATOM 0 HG2 ARG A 110 -2.816 5.852 -8.394 1.00 23.11 H new ATOM 0 HG3 ARG A 110 -4.189 5.854 -9.482 1.00 23.11 H new ATOM 0 HD2 ARG A 110 -3.506 8.352 -9.948 1.00 32.20 H new ATOM 0 HD3 ARG A 110 -1.967 7.892 -9.247 1.00 32.20 H new ATOM 0 HE ARG A 110 -2.472 5.904 -11.136 1.00 11.13 H new ATOM 0 HH11 ARG A 110 -2.242 9.428 -11.133 1.00 34.34 H new ATOM 0 HH12 ARG A 110 -1.656 9.505 -12.798 1.00 34.34 H new ATOM 0 HH21 ARG A 110 -1.720 6.013 -13.274 1.00 33.01 H new ATOM 0 HH22 ARG A 110 -1.361 7.581 -14.004 1.00 33.01 H new ATOM 389 N VAL A 111 -3.305 5.057 -5.265 1.00 35.24 N ATOM 390 CA VAL A 111 -2.316 4.911 -4.204 1.00 1.12 C ATOM 391 C VAL A 111 -0.936 4.607 -4.777 1.00 54.11 C ATOM 392 O VAL A 111 -0.804 3.840 -5.730 1.00 63.55 O ATOM 393 CB VAL A 111 -2.708 3.793 -3.220 1.00 15.23 C ATOM 394 CG1 VAL A 111 -2.563 4.271 -1.783 1.00 21.11 C ATOM 395 CG2 VAL A 111 -4.128 3.319 -3.491 1.00 52.14 C ATOM 0 H VAL A 111 -3.542 4.188 -5.743 1.00 35.24 H new ATOM 0 HA VAL A 111 -2.284 5.860 -3.669 1.00 1.12 H new ATOM 0 HB VAL A 111 -2.033 2.950 -3.368 1.00 15.23 H new ATOM 0 HG11 VAL A 111 -2.844 3.468 -1.102 1.00 21.11 H new ATOM 0 HG12 VAL A 111 -1.528 4.558 -1.598 1.00 21.11 H new ATOM 0 HG13 VAL A 111 -3.213 5.131 -1.618 1.00 21.11 H new ATOM 0 HG21 VAL A 111 -4.389 2.529 -2.787 1.00 52.14 H new ATOM 0 HG22 VAL A 111 -4.819 4.154 -3.372 1.00 52.14 H new ATOM 0 HG23 VAL A 111 -4.195 2.934 -4.509 1.00 52.14 H new ATOM 405 N VAL A 112 0.090 5.214 -4.189 1.00 53.22 N ATOM 406 CA VAL A 112 1.461 5.008 -4.640 1.00 72.52 C ATOM 407 C VAL A 112 2.402 4.800 -3.459 1.00 63.02 C ATOM 408 O VAL A 112 2.287 5.472 -2.434 1.00 4.53 O ATOM 409 CB VAL A 112 1.961 6.199 -5.479 1.00 24.44 C ATOM 410 CG1 VAL A 112 3.364 5.931 -6.003 1.00 72.31 C ATOM 411 CG2 VAL A 112 1.001 6.485 -6.623 1.00 50.20 C ATOM 0 H VAL A 112 -0.002 5.853 -3.399 1.00 53.22 H new ATOM 0 HA VAL A 112 1.459 4.112 -5.261 1.00 72.52 H new ATOM 0 HB VAL A 112 2.000 7.081 -4.840 1.00 24.44 H new ATOM 0 HG11 VAL A 112 3.701 6.783 -6.593 1.00 72.31 H new ATOM 0 HG12 VAL A 112 4.043 5.780 -5.164 1.00 72.31 H new ATOM 0 HG13 VAL A 112 3.355 5.038 -6.628 1.00 72.31 H new ATOM 0 HG21 VAL A 112 1.370 7.329 -7.205 1.00 50.20 H new ATOM 0 HG22 VAL A 112 0.927 5.607 -7.264 1.00 50.20 H new ATOM 0 HG23 VAL A 112 0.017 6.724 -6.221 1.00 50.20 H new ATOM 421 N LEU A 113 3.334 3.865 -3.610 1.00 1.30 N ATOM 422 CA LEU A 113 4.298 3.568 -2.556 1.00 13.53 C ATOM 423 C LEU A 113 5.714 3.923 -2.997 1.00 1.10 C ATOM 424 O LEU A 113 6.357 3.163 -3.720 1.00 2.10 O ATOM 425 CB LEU A 113 4.226 2.089 -2.173 1.00 53.15 C ATOM 426 CG LEU A 113 5.317 1.586 -1.228 1.00 45.14 C ATOM 427 CD1 LEU A 113 5.640 2.637 -0.178 1.00 13.24 C ATOM 428 CD2 LEU A 113 4.893 0.282 -0.569 1.00 14.45 C ATOM 0 H LEU A 113 3.443 3.300 -4.452 1.00 1.30 H new ATOM 0 HA LEU A 113 4.046 4.174 -1.686 1.00 13.53 H new ATOM 0 HB2 LEU A 113 3.257 1.901 -1.710 1.00 53.15 H new ATOM 0 HB3 LEU A 113 4.263 1.496 -3.087 1.00 53.15 H new ATOM 0 HG LEU A 113 6.218 1.397 -1.812 1.00 45.14 H new ATOM 0 HD11 LEU A 113 6.419 2.261 0.486 1.00 13.24 H new ATOM 0 HD12 LEU A 113 5.989 3.546 -0.668 1.00 13.24 H new ATOM 0 HD13 LEU A 113 4.744 2.859 0.402 1.00 13.24 H new ATOM 0 HD21 LEU A 113 5.682 -0.061 0.100 1.00 14.45 H new ATOM 0 HD22 LEU A 113 3.978 0.443 0.001 1.00 14.45 H new ATOM 0 HD23 LEU A 113 4.714 -0.472 -1.336 1.00 14.45 H new ATOM 440 N GLU A 114 6.194 5.081 -2.555 1.00 12.43 N ATOM 441 CA GLU A 114 7.535 5.535 -2.904 1.00 11.14 C ATOM 442 C GLU A 114 8.593 4.750 -2.133 1.00 75.44 C ATOM 443 O GLU A 114 8.472 4.543 -0.926 1.00 23.13 O ATOM 444 CB GLU A 114 7.683 7.030 -2.614 1.00 51.30 C ATOM 445 CG GLU A 114 8.015 7.858 -3.844 1.00 11.51 C ATOM 446 CD GLU A 114 7.052 9.012 -4.047 1.00 43.44 C ATOM 447 OE1 GLU A 114 5.835 8.809 -3.857 1.00 12.11 O ATOM 448 OE2 GLU A 114 7.516 10.118 -4.397 1.00 72.21 O ATOM 0 H GLU A 114 5.674 5.722 -1.955 1.00 12.43 H new ATOM 0 HA GLU A 114 7.683 5.362 -3.970 1.00 11.14 H new ATOM 0 HB2 GLU A 114 6.756 7.400 -2.176 1.00 51.30 H new ATOM 0 HB3 GLU A 114 8.466 7.171 -1.869 1.00 51.30 H new ATOM 0 HG2 GLU A 114 9.029 8.247 -3.753 1.00 11.51 H new ATOM 0 HG3 GLU A 114 7.998 7.216 -4.725 1.00 11.51 H new ATOM 455 N LYS A 115 9.629 4.313 -2.841 1.00 50.42 N ATOM 456 CA LYS A 115 10.709 3.551 -2.227 1.00 3.14 C ATOM 457 C LYS A 115 11.601 4.455 -1.382 1.00 45.54 C ATOM 458 O LYS A 115 12.359 3.981 -0.536 1.00 62.31 O ATOM 459 CB LYS A 115 11.545 2.853 -3.302 1.00 53.13 C ATOM 460 CG LYS A 115 11.003 1.493 -3.706 1.00 75.02 C ATOM 461 CD LYS A 115 11.829 0.365 -3.113 1.00 21.53 C ATOM 462 CE LYS A 115 13.182 0.245 -3.798 1.00 32.52 C ATOM 463 NZ LYS A 115 13.990 -0.874 -3.238 1.00 32.00 N ATOM 0 H LYS A 115 9.743 4.474 -3.842 1.00 50.42 H new ATOM 0 HA LYS A 115 10.264 2.798 -1.576 1.00 3.14 H new ATOM 0 HB2 LYS A 115 11.594 3.492 -4.184 1.00 53.13 H new ATOM 0 HB3 LYS A 115 12.565 2.734 -2.937 1.00 53.13 H new ATOM 0 HG2 LYS A 115 9.968 1.400 -3.376 1.00 75.02 H new ATOM 0 HG3 LYS A 115 10.999 1.410 -4.793 1.00 75.02 H new ATOM 0 HD2 LYS A 115 11.974 0.540 -2.047 1.00 21.53 H new ATOM 0 HD3 LYS A 115 11.286 -0.575 -3.210 1.00 21.53 H new ATOM 0 HE2 LYS A 115 13.035 0.088 -4.867 1.00 32.52 H new ATOM 0 HE3 LYS A 115 13.730 1.180 -3.686 1.00 32.52 H new ATOM 0 HZ1 LYS A 115 14.904 -0.923 -3.731 1.00 32.00 H new ATOM 0 HZ2 LYS A 115 14.152 -0.712 -2.224 1.00 32.00 H new ATOM 0 HZ3 LYS A 115 13.479 -1.770 -3.368 1.00 32.00 H new ATOM 477 N ASP A 116 11.505 5.759 -1.617 1.00 43.41 N ATOM 478 CA ASP A 116 12.302 6.730 -0.876 1.00 50.51 C ATOM 479 C ASP A 116 12.170 6.508 0.627 1.00 33.13 C ATOM 480 O ASP A 116 13.168 6.383 1.338 1.00 33.01 O ATOM 481 CB ASP A 116 11.871 8.154 -1.233 1.00 65.02 C ATOM 482 CG ASP A 116 12.948 9.178 -0.930 1.00 33.34 C ATOM 483 OD1 ASP A 116 14.062 8.769 -0.542 1.00 1.10 O ATOM 484 OD2 ASP A 116 12.675 10.388 -1.079 1.00 24.52 O ATOM 0 H ASP A 116 10.883 6.168 -2.315 1.00 43.41 H new ATOM 0 HA ASP A 116 13.347 6.594 -1.155 1.00 50.51 H new ATOM 0 HB2 ASP A 116 11.618 8.199 -2.292 1.00 65.02 H new ATOM 0 HB3 ASP A 116 10.967 8.407 -0.679 1.00 65.02 H new ATOM 489 N THR A 117 10.931 6.460 1.107 1.00 54.13 N ATOM 490 CA THR A 117 10.667 6.255 2.525 1.00 4.14 C ATOM 491 C THR A 117 9.562 5.227 2.737 1.00 62.35 C ATOM 492 O THR A 117 8.983 5.138 3.819 1.00 54.05 O ATOM 493 CB THR A 117 10.268 7.571 3.219 1.00 54.34 C ATOM 494 OG1 THR A 117 9.283 8.257 2.437 1.00 32.02 O ATOM 495 CG2 THR A 117 11.480 8.469 3.417 1.00 71.43 C ATOM 0 H THR A 117 10.094 6.561 0.533 1.00 54.13 H new ATOM 0 HA THR A 117 11.592 5.886 2.967 1.00 4.14 H new ATOM 0 HB THR A 117 9.852 7.329 4.197 1.00 54.34 H new ATOM 0 HG1 THR A 117 9.033 9.092 2.885 1.00 32.02 H new ATOM 0 HG21 THR A 117 11.173 9.392 3.909 1.00 71.43 H new ATOM 0 HG22 THR A 117 12.216 7.956 4.036 1.00 71.43 H new ATOM 0 HG23 THR A 117 11.921 8.704 2.448 1.00 71.43 H new ATOM 503 N MET A 118 9.276 4.451 1.696 1.00 35.12 N ATOM 504 CA MET A 118 8.240 3.427 1.770 1.00 61.44 C ATOM 505 C MET A 118 6.922 4.020 2.257 1.00 71.04 C ATOM 506 O MET A 118 6.111 3.330 2.875 1.00 53.33 O ATOM 507 CB MET A 118 8.678 2.294 2.701 1.00 51.34 C ATOM 508 CG MET A 118 8.497 0.910 2.100 1.00 21.41 C ATOM 509 SD MET A 118 8.212 -0.358 3.350 1.00 13.24 S ATOM 510 CE MET A 118 6.483 -0.730 3.067 1.00 52.20 C ATOM 0 H MET A 118 9.746 4.512 0.793 1.00 35.12 H new ATOM 0 HA MET A 118 8.089 3.026 0.768 1.00 61.44 H new ATOM 0 HB2 MET A 118 9.727 2.434 2.961 1.00 51.34 H new ATOM 0 HB3 MET A 118 8.108 2.356 3.628 1.00 51.34 H new ATOM 0 HG2 MET A 118 7.656 0.926 1.406 1.00 21.41 H new ATOM 0 HG3 MET A 118 9.383 0.651 1.521 1.00 21.41 H new ATOM 0 HE1 MET A 118 6.065 -1.210 3.952 1.00 52.20 H new ATOM 0 HE2 MET A 118 5.941 0.193 2.864 1.00 52.20 H new ATOM 0 HE3 MET A 118 6.390 -1.400 2.213 1.00 52.20 H new ATOM 520 N ASP A 119 6.715 5.302 1.975 1.00 63.55 N ATOM 521 CA ASP A 119 5.495 5.987 2.383 1.00 11.33 C ATOM 522 C ASP A 119 4.386 5.782 1.356 1.00 41.00 C ATOM 523 O ASP A 119 4.650 5.448 0.201 1.00 53.23 O ATOM 524 CB ASP A 119 5.763 7.481 2.572 1.00 54.35 C ATOM 525 CG ASP A 119 5.642 7.913 4.020 1.00 44.22 C ATOM 526 OD1 ASP A 119 6.525 7.546 4.824 1.00 50.21 O ATOM 527 OD2 ASP A 119 4.666 8.619 4.349 1.00 63.30 O ATOM 0 H ASP A 119 7.377 5.887 1.465 1.00 63.55 H new ATOM 0 HA ASP A 119 5.169 5.561 3.332 1.00 11.33 H new ATOM 0 HB2 ASP A 119 6.763 7.716 2.208 1.00 54.35 H new ATOM 0 HB3 ASP A 119 5.060 8.053 1.966 1.00 54.35 H new ATOM 532 N VAL A 120 3.144 5.983 1.785 1.00 21.21 N ATOM 533 CA VAL A 120 1.995 5.820 0.903 1.00 73.10 C ATOM 534 C VAL A 120 1.427 7.172 0.485 1.00 34.52 C ATOM 535 O VAL A 120 1.244 8.063 1.315 1.00 63.44 O ATOM 536 CB VAL A 120 0.883 4.994 1.577 1.00 53.13 C ATOM 537 CG1 VAL A 120 -0.329 4.885 0.664 1.00 52.11 C ATOM 538 CG2 VAL A 120 1.400 3.615 1.957 1.00 71.12 C ATOM 0 H VAL A 120 2.908 6.259 2.738 1.00 21.21 H new ATOM 0 HA VAL A 120 2.347 5.288 0.019 1.00 73.10 H new ATOM 0 HB VAL A 120 0.576 5.506 2.489 1.00 53.13 H new ATOM 0 HG11 VAL A 120 -1.104 4.298 1.157 1.00 52.11 H new ATOM 0 HG12 VAL A 120 -0.712 5.882 0.447 1.00 52.11 H new ATOM 0 HG13 VAL A 120 -0.041 4.396 -0.267 1.00 52.11 H new ATOM 0 HG21 VAL A 120 0.601 3.045 2.432 1.00 71.12 H new ATOM 0 HG22 VAL A 120 1.735 3.093 1.061 1.00 71.12 H new ATOM 0 HG23 VAL A 120 2.234 3.718 2.651 1.00 71.12 H new ATOM 548 N TRP A 121 1.148 7.316 -0.805 1.00 45.53 N ATOM 549 CA TRP A 121 0.600 8.560 -1.334 1.00 10.43 C ATOM 550 C TRP A 121 -0.801 8.343 -1.895 1.00 20.35 C ATOM 551 O TRP A 121 -0.995 7.546 -2.814 1.00 23.15 O ATOM 552 CB TRP A 121 1.516 9.124 -2.421 1.00 1.40 C ATOM 553 CG TRP A 121 1.331 10.594 -2.650 1.00 60.02 C ATOM 554 CD1 TRP A 121 0.807 11.500 -1.774 1.00 14.53 C ATOM 555 CD2 TRP A 121 1.668 11.326 -3.834 1.00 32.32 C ATOM 556 NE1 TRP A 121 0.797 12.752 -2.341 1.00 60.12 N ATOM 557 CE2 TRP A 121 1.321 12.672 -3.604 1.00 70.42 C ATOM 558 CE3 TRP A 121 2.230 10.976 -5.064 1.00 65.21 C ATOM 559 CZ2 TRP A 121 1.518 13.664 -4.561 1.00 11.25 C ATOM 560 CZ3 TRP A 121 2.425 11.962 -6.012 1.00 50.02 C ATOM 561 CH2 TRP A 121 2.070 13.293 -5.756 1.00 44.23 C ATOM 0 H TRP A 121 1.292 6.587 -1.504 1.00 45.53 H new ATOM 0 HA TRP A 121 0.536 9.276 -0.515 1.00 10.43 H new ATOM 0 HB2 TRP A 121 2.554 8.934 -2.146 1.00 1.40 H new ATOM 0 HB3 TRP A 121 1.331 8.592 -3.354 1.00 1.40 H new ATOM 0 HD1 TRP A 121 0.452 11.267 -0.781 1.00 14.53 H new ATOM 0 HE1 TRP A 121 0.455 13.603 -1.894 1.00 60.12 H new ATOM 0 HE3 TRP A 121 2.507 9.953 -5.270 1.00 65.21 H new ATOM 0 HZ2 TRP A 121 1.244 14.691 -4.366 1.00 11.25 H new ATOM 0 HZ3 TRP A 121 2.858 11.702 -6.967 1.00 50.02 H new ATOM 0 HH2 TRP A 121 2.236 14.041 -6.517 1.00 44.23 H new ATOM 572 N CYS A 122 -1.774 9.055 -1.337 1.00 21.30 N ATOM 573 CA CYS A 122 -3.158 8.938 -1.782 1.00 51.30 C ATOM 574 C CYS A 122 -3.810 10.312 -1.895 1.00 51.44 C ATOM 575 O CYS A 122 -3.711 11.134 -0.986 1.00 2.45 O ATOM 576 CB CYS A 122 -3.954 8.061 -0.815 1.00 74.33 C ATOM 577 SG CYS A 122 -5.743 8.111 -1.075 1.00 10.42 S ATOM 0 H CYS A 122 -1.630 9.719 -0.576 1.00 21.30 H new ATOM 0 HA CYS A 122 -3.159 8.473 -2.768 1.00 51.30 H new ATOM 0 HB2 CYS A 122 -3.612 7.030 -0.911 1.00 74.33 H new ATOM 0 HB3 CYS A 122 -3.737 8.375 0.206 1.00 74.33 H new ATOM 0 HG CYS A 122 -6.337 7.439 -0.134 1.00 10.42 H new ATOM 583 N ASN A 123 -4.476 10.555 -3.020 1.00 21.21 N ATOM 584 CA ASN A 123 -5.143 11.831 -3.254 1.00 24.34 C ATOM 585 C ASN A 123 -4.195 12.996 -2.988 1.00 1.42 C ATOM 586 O ASN A 123 -4.547 13.951 -2.297 1.00 11.41 O ATOM 587 CB ASN A 123 -6.381 11.953 -2.364 1.00 34.10 C ATOM 588 CG ASN A 123 -7.596 11.274 -2.967 1.00 62.13 C ATOM 589 OD1 ASN A 123 -8.696 11.826 -2.962 1.00 51.13 O ATOM 590 ND2 ASN A 123 -7.401 10.069 -3.491 1.00 3.30 N ATOM 0 H ASN A 123 -4.568 9.885 -3.784 1.00 21.21 H new ATOM 0 HA ASN A 123 -5.450 11.867 -4.299 1.00 24.34 H new ATOM 0 HB2 ASN A 123 -6.169 11.514 -1.389 1.00 34.10 H new ATOM 0 HB3 ASN A 123 -6.603 13.007 -2.197 1.00 34.10 H new ATOM 0 HD21 ASN A 123 -8.181 9.563 -3.911 1.00 3.30 H new ATOM 0 HD22 ASN A 123 -6.471 9.649 -3.473 1.00 3.30 H new ATOM 597 N GLY A 124 -2.990 12.911 -3.543 1.00 25.44 N ATOM 598 CA GLY A 124 -2.010 13.964 -3.355 1.00 3.44 C ATOM 599 C GLY A 124 -1.847 14.352 -1.898 1.00 54.12 C ATOM 600 O GLY A 124 -1.859 15.535 -1.560 1.00 40.30 O ATOM 0 H GLY A 124 -2.675 12.131 -4.120 1.00 25.44 H new ATOM 0 HA2 GLY A 124 -1.049 13.636 -3.750 1.00 3.44 H new ATOM 0 HA3 GLY A 124 -2.308 14.841 -3.930 1.00 3.44 H new ATOM 604 N GLN A 125 -1.697 13.353 -1.035 1.00 35.04 N ATOM 605 CA GLN A 125 -1.535 13.597 0.394 1.00 62.52 C ATOM 606 C GLN A 125 -0.713 12.489 1.045 1.00 74.32 C ATOM 607 O GLN A 125 -1.146 11.338 1.112 1.00 21.12 O ATOM 608 CB GLN A 125 -2.901 13.701 1.074 1.00 52.25 C ATOM 609 CG GLN A 125 -3.073 14.964 1.902 1.00 31.25 C ATOM 610 CD GLN A 125 -3.222 14.674 3.383 1.00 12.10 C ATOM 611 OE1 GLN A 125 -4.080 13.890 3.791 1.00 43.13 O ATOM 612 NE2 GLN A 125 -2.386 15.307 4.197 1.00 23.25 N ATOM 0 H GLN A 125 -1.684 12.368 -1.299 1.00 35.04 H new ATOM 0 HA GLN A 125 -1.003 14.540 0.518 1.00 62.52 H new ATOM 0 HB2 GLN A 125 -3.680 13.667 0.313 1.00 52.25 H new ATOM 0 HB3 GLN A 125 -3.045 12.833 1.717 1.00 52.25 H new ATOM 0 HG2 GLN A 125 -2.213 15.615 1.748 1.00 31.25 H new ATOM 0 HG3 GLN A 125 -3.951 15.507 1.552 1.00 31.25 H new ATOM 0 HE21 GLN A 125 -1.690 15.948 3.816 1.00 23.25 H new ATOM 0 HE22 GLN A 125 -2.439 15.152 5.204 1.00 23.25 H new ATOM 621 N LYS A 126 0.475 12.843 1.523 1.00 34.11 N ATOM 622 CA LYS A 126 1.358 11.880 2.170 1.00 34.20 C ATOM 623 C LYS A 126 0.636 11.154 3.301 1.00 71.01 C ATOM 624 O LYS A 126 0.469 11.697 4.393 1.00 42.15 O ATOM 625 CB LYS A 126 2.603 12.584 2.714 1.00 34.14 C ATOM 626 CG LYS A 126 3.810 11.672 2.843 1.00 62.55 C ATOM 627 CD LYS A 126 5.073 12.458 3.154 1.00 34.21 C ATOM 628 CE LYS A 126 5.677 12.037 4.485 1.00 62.22 C ATOM 629 NZ LYS A 126 4.748 12.288 5.621 1.00 75.23 N ATOM 0 H LYS A 126 0.849 13.791 1.474 1.00 34.11 H new ATOM 0 HA LYS A 126 1.661 11.144 1.425 1.00 34.20 H new ATOM 0 HB2 LYS A 126 2.856 13.416 2.057 1.00 34.14 H new ATOM 0 HB3 LYS A 126 2.372 13.008 3.691 1.00 34.14 H new ATOM 0 HG2 LYS A 126 3.632 10.941 3.632 1.00 62.55 H new ATOM 0 HG3 LYS A 126 3.946 11.114 1.916 1.00 62.55 H new ATOM 0 HD2 LYS A 126 5.802 12.307 2.358 1.00 34.21 H new ATOM 0 HD3 LYS A 126 4.843 13.523 3.178 1.00 34.21 H new ATOM 0 HE2 LYS A 126 5.929 10.977 4.450 1.00 62.22 H new ATOM 0 HE3 LYS A 126 6.607 12.581 4.650 1.00 62.22 H new ATOM 0 HZ1 LYS A 126 5.289 12.333 6.508 1.00 75.23 H new ATOM 0 HZ2 LYS A 126 4.252 13.190 5.471 1.00 75.23 H new ATOM 0 HZ3 LYS A 126 4.053 11.516 5.678 1.00 75.23 H new ATOM 643 N MET A 127 0.211 9.924 3.032 1.00 22.42 N ATOM 644 CA MET A 127 -0.490 9.123 4.029 1.00 32.01 C ATOM 645 C MET A 127 0.392 8.880 5.250 1.00 53.03 C ATOM 646 O MET A 127 1.586 9.174 5.231 1.00 4.22 O ATOM 647 CB MET A 127 -0.926 7.786 3.426 1.00 0.20 C ATOM 648 CG MET A 127 -1.955 7.927 2.316 1.00 64.13 C ATOM 649 SD MET A 127 -3.649 7.782 2.916 1.00 63.41 S ATOM 650 CE MET A 127 -3.631 6.118 3.579 1.00 33.11 C ATOM 0 H MET A 127 0.340 9.460 2.133 1.00 22.42 H new ATOM 0 HA MET A 127 -1.374 9.676 4.346 1.00 32.01 H new ATOM 0 HB2 MET A 127 -0.049 7.270 3.034 1.00 0.20 H new ATOM 0 HB3 MET A 127 -1.339 7.158 4.215 1.00 0.20 H new ATOM 0 HG2 MET A 127 -1.828 8.894 1.829 1.00 64.13 H new ATOM 0 HG3 MET A 127 -1.775 7.163 1.560 1.00 64.13 H new ATOM 0 HE1 MET A 127 -4.224 5.465 2.939 1.00 33.11 H new ATOM 0 HE2 MET A 127 -2.605 5.753 3.618 1.00 33.11 H new ATOM 0 HE3 MET A 127 -4.053 6.122 4.584 1.00 33.11 H new ATOM 660 N GLU A 128 -0.206 8.342 6.308 1.00 3.15 N ATOM 661 CA GLU A 128 0.527 8.061 7.538 1.00 51.54 C ATOM 662 C GLU A 128 0.494 6.571 7.863 1.00 74.24 C ATOM 663 O GLU A 128 -0.535 6.036 8.278 1.00 12.42 O ATOM 664 CB GLU A 128 -0.061 8.862 8.702 1.00 62.41 C ATOM 665 CG GLU A 128 0.457 8.426 10.062 1.00 34.15 C ATOM 666 CD GLU A 128 0.927 9.593 10.909 1.00 73.11 C ATOM 667 OE1 GLU A 128 0.111 10.501 11.171 1.00 13.25 O ATOM 668 OE2 GLU A 128 2.110 9.598 11.308 1.00 13.24 O ATOM 0 H GLU A 128 -1.194 8.092 6.339 1.00 3.15 H new ATOM 0 HA GLU A 128 1.565 8.359 7.389 1.00 51.54 H new ATOM 0 HB2 GLU A 128 0.166 9.918 8.557 1.00 62.41 H new ATOM 0 HB3 GLU A 128 -1.147 8.765 8.688 1.00 62.41 H new ATOM 0 HG2 GLU A 128 -0.331 7.891 10.592 1.00 34.15 H new ATOM 0 HG3 GLU A 128 1.281 7.726 9.925 1.00 34.15 H new ATOM 675 N THR A 129 1.627 5.904 7.669 1.00 22.55 N ATOM 676 CA THR A 129 1.729 4.475 7.940 1.00 74.04 C ATOM 677 C THR A 129 2.293 4.217 9.332 1.00 14.52 C ATOM 678 O THR A 129 2.517 5.150 10.103 1.00 31.25 O ATOM 679 CB THR A 129 2.618 3.768 6.899 1.00 11.32 C ATOM 680 OG1 THR A 129 3.990 4.119 7.109 1.00 24.30 O ATOM 681 CG2 THR A 129 2.203 4.147 5.486 1.00 52.43 C ATOM 0 H THR A 129 2.487 6.330 7.325 1.00 22.55 H new ATOM 0 HA THR A 129 0.719 4.070 7.880 1.00 74.04 H new ATOM 0 HB THR A 129 2.496 2.692 7.020 1.00 11.32 H new ATOM 0 HG1 THR A 129 4.502 3.943 6.292 1.00 24.30 H new ATOM 0 HG21 THR A 129 2.845 3.636 4.769 1.00 52.43 H new ATOM 0 HG22 THR A 129 1.167 3.853 5.320 1.00 52.43 H new ATOM 0 HG23 THR A 129 2.299 5.225 5.355 1.00 52.43 H new ATOM 689 N ALA A 130 2.520 2.947 9.648 1.00 64.34 N ATOM 690 CA ALA A 130 3.061 2.567 10.947 1.00 42.21 C ATOM 691 C ALA A 130 4.577 2.408 10.886 1.00 75.14 C ATOM 692 O ALA A 130 5.289 2.795 11.811 1.00 61.31 O ATOM 693 CB ALA A 130 2.412 1.280 11.433 1.00 64.40 C ATOM 0 H ALA A 130 2.338 2.163 9.022 1.00 64.34 H new ATOM 0 HA ALA A 130 2.834 3.365 11.655 1.00 42.21 H new ATOM 0 HB1 ALA A 130 2.826 1.008 12.404 1.00 64.40 H new ATOM 0 HB2 ALA A 130 1.336 1.427 11.525 1.00 64.40 H new ATOM 0 HB3 ALA A 130 2.609 0.481 10.718 1.00 64.40 H new ATOM 699 N GLY A 131 5.063 1.835 9.789 1.00 60.31 N ATOM 700 CA GLY A 131 6.491 1.634 9.628 1.00 22.31 C ATOM 701 C GLY A 131 7.038 0.581 10.572 1.00 44.31 C ATOM 702 O GLY A 131 8.127 0.740 11.124 1.00 72.44 O ATOM 0 H GLY A 131 4.493 1.507 9.009 1.00 60.31 H new ATOM 0 HA2 GLY A 131 6.700 1.339 8.600 1.00 22.31 H new ATOM 0 HA3 GLY A 131 7.009 2.577 9.801 1.00 22.31 H new ATOM 706 N GLU A 132 6.281 -0.495 10.759 1.00 31.10 N ATOM 707 CA GLU A 132 6.696 -1.576 11.645 1.00 4.02 C ATOM 708 C GLU A 132 7.558 -2.591 10.899 1.00 52.30 C ATOM 709 O GLU A 132 7.104 -3.227 9.948 1.00 74.30 O ATOM 710 CB GLU A 132 5.473 -2.272 12.245 1.00 30.30 C ATOM 711 CG GLU A 132 5.649 -2.664 13.703 1.00 40.54 C ATOM 712 CD GLU A 132 4.397 -2.430 14.525 1.00 55.12 C ATOM 713 OE1 GLU A 132 3.310 -2.861 14.085 1.00 20.42 O ATOM 714 OE2 GLU A 132 4.502 -1.816 15.607 1.00 43.22 O ATOM 0 H GLU A 132 5.377 -0.642 10.309 1.00 31.10 H new ATOM 0 HA GLU A 132 7.290 -1.143 12.450 1.00 4.02 H new ATOM 0 HB2 GLU A 132 4.610 -1.612 12.157 1.00 30.30 H new ATOM 0 HB3 GLU A 132 5.252 -3.166 11.662 1.00 30.30 H new ATOM 0 HG2 GLU A 132 5.926 -3.717 13.761 1.00 40.54 H new ATOM 0 HG3 GLU A 132 6.473 -2.093 14.132 1.00 40.54 H new ATOM 781 N GLY A 137 10.133 -8.582 6.306 1.00 42.41 N ATOM 782 CA GLY A 137 9.104 -7.820 5.623 1.00 41.04 C ATOM 783 C GLY A 137 8.698 -6.576 6.388 1.00 24.34 C ATOM 784 O GLY A 137 9.205 -6.317 7.481 1.00 73.13 O ATOM 0 HA2 GLY A 137 9.464 -7.533 4.635 1.00 41.04 H new ATOM 0 HA3 GLY A 137 8.229 -8.452 5.472 1.00 41.04 H new ATOM 788 N THR A 138 7.783 -5.802 5.815 1.00 74.15 N ATOM 789 CA THR A 138 7.311 -4.577 6.448 1.00 23.34 C ATOM 790 C THR A 138 5.794 -4.463 6.364 1.00 75.33 C ATOM 791 O THR A 138 5.209 -4.630 5.294 1.00 32.30 O ATOM 792 CB THR A 138 7.945 -3.331 5.803 1.00 42.31 C ATOM 793 OG1 THR A 138 8.950 -3.724 4.861 1.00 55.10 O ATOM 794 CG2 THR A 138 8.561 -2.427 6.861 1.00 72.33 C ATOM 0 H THR A 138 7.353 -6.002 4.912 1.00 74.15 H new ATOM 0 HA THR A 138 7.611 -4.627 7.495 1.00 23.34 H new ATOM 0 HB THR A 138 7.160 -2.778 5.287 1.00 42.31 H new ATOM 0 HG1 THR A 138 9.347 -2.926 4.454 1.00 55.10 H new ATOM 0 HG21 THR A 138 9.003 -1.554 6.381 1.00 72.33 H new ATOM 0 HG22 THR A 138 7.788 -2.105 7.559 1.00 72.33 H new ATOM 0 HG23 THR A 138 9.334 -2.974 7.401 1.00 72.33 H new ATOM 802 N GLU A 139 5.162 -4.177 7.498 1.00 72.31 N ATOM 803 CA GLU A 139 3.711 -4.041 7.550 1.00 30.21 C ATOM 804 C GLU A 139 3.307 -2.576 7.690 1.00 75.42 C ATOM 805 O GLU A 139 3.281 -2.029 8.793 1.00 74.41 O ATOM 806 CB GLU A 139 3.142 -4.852 8.716 1.00 20.22 C ATOM 807 CG GLU A 139 3.760 -6.233 8.856 1.00 24.12 C ATOM 808 CD GLU A 139 3.195 -7.009 10.030 1.00 63.10 C ATOM 809 OE1 GLU A 139 3.737 -6.872 11.147 1.00 61.11 O ATOM 810 OE2 GLU A 139 2.212 -7.753 9.832 1.00 1.01 O ATOM 0 H GLU A 139 5.632 -4.035 8.392 1.00 72.31 H new ATOM 0 HA GLU A 139 3.302 -4.425 6.616 1.00 30.21 H new ATOM 0 HB2 GLU A 139 3.297 -4.298 9.642 1.00 20.22 H new ATOM 0 HB3 GLU A 139 2.065 -4.957 8.583 1.00 20.22 H new ATOM 0 HG2 GLU A 139 3.592 -6.797 7.938 1.00 24.12 H new ATOM 0 HG3 GLU A 139 4.839 -6.134 8.976 1.00 24.12 H new ATOM 817 N THR A 140 2.992 -1.945 6.563 1.00 74.42 N ATOM 818 CA THR A 140 2.590 -0.544 6.558 1.00 63.32 C ATOM 819 C THR A 140 1.128 -0.390 6.959 1.00 12.13 C ATOM 820 O THR A 140 0.225 -0.769 6.212 1.00 21.25 O ATOM 821 CB THR A 140 2.801 0.095 5.173 1.00 52.55 C ATOM 822 OG1 THR A 140 3.212 -0.901 4.230 1.00 74.20 O ATOM 823 CG2 THR A 140 3.846 1.199 5.239 1.00 32.13 C ATOM 0 H THR A 140 3.008 -2.382 5.642 1.00 74.42 H new ATOM 0 HA THR A 140 3.219 -0.032 7.286 1.00 63.32 H new ATOM 0 HB THR A 140 1.855 0.530 4.852 1.00 52.55 H new ATOM 0 HG1 THR A 140 2.488 -1.549 4.103 1.00 74.20 H new ATOM 0 HG21 THR A 140 3.978 1.635 4.249 1.00 32.13 H new ATOM 0 HG22 THR A 140 3.516 1.971 5.935 1.00 32.13 H new ATOM 0 HG23 THR A 140 4.794 0.783 5.581 1.00 32.13 H new ATOM 831 N HIS A 141 0.900 0.170 8.143 1.00 31.13 N ATOM 832 CA HIS A 141 -0.455 0.376 8.643 1.00 23.25 C ATOM 833 C HIS A 141 -0.855 1.845 8.540 1.00 63.51 C ATOM 834 O HIS A 141 -0.399 2.679 9.322 1.00 44.35 O ATOM 835 CB HIS A 141 -0.562 -0.093 10.095 1.00 42.21 C ATOM 836 CG HIS A 141 -0.049 -1.483 10.315 1.00 54.12 C ATOM 837 ND1 HIS A 141 -0.786 -2.611 10.022 1.00 23.51 N ATOM 838 CD2 HIS A 141 1.135 -1.924 10.800 1.00 12.54 C ATOM 839 CE1 HIS A 141 -0.077 -3.686 10.320 1.00 73.12 C ATOM 840 NE2 HIS A 141 1.092 -3.296 10.794 1.00 63.15 N ATOM 0 H HIS A 141 1.635 0.489 8.774 1.00 31.13 H new ATOM 0 HA HIS A 141 -1.136 -0.212 8.028 1.00 23.25 H new ATOM 0 HB2 HIS A 141 -0.007 0.595 10.732 1.00 42.21 H new ATOM 0 HB3 HIS A 141 -1.605 -0.046 10.407 1.00 42.21 H new ATOM 0 HD1 HIS A 141 -1.730 -2.615 9.636 1.00 23.51 H new ATOM 0 HD2 HIS A 141 1.960 -1.311 11.130 1.00 12.54 H new ATOM 0 HE1 HIS A 141 -0.399 -4.709 10.197 1.00 73.12 H new ATOM 848 N PHE A 142 -1.709 2.153 7.570 1.00 41.12 N ATOM 849 CA PHE A 142 -2.169 3.521 7.363 1.00 41.41 C ATOM 850 C PHE A 142 -3.693 3.587 7.355 1.00 54.35 C ATOM 851 O PHE A 142 -4.356 2.788 6.694 1.00 73.13 O ATOM 852 CB PHE A 142 -1.616 4.074 6.048 1.00 51.43 C ATOM 853 CG PHE A 142 -1.764 3.129 4.890 1.00 32.33 C ATOM 854 CD1 PHE A 142 -2.951 3.065 4.178 1.00 33.25 C ATOM 855 CD2 PHE A 142 -0.716 2.304 4.514 1.00 75.01 C ATOM 856 CE1 PHE A 142 -3.090 2.195 3.114 1.00 74.24 C ATOM 857 CE2 PHE A 142 -0.850 1.432 3.450 1.00 44.25 C ATOM 858 CZ PHE A 142 -2.038 1.378 2.748 1.00 40.41 C ATOM 0 H PHE A 142 -2.097 1.474 6.915 1.00 41.12 H new ATOM 0 HA PHE A 142 -1.801 4.130 8.188 1.00 41.41 H new ATOM 0 HB2 PHE A 142 -2.127 5.007 5.812 1.00 51.43 H new ATOM 0 HB3 PHE A 142 -0.561 4.313 6.179 1.00 51.43 H new ATOM 0 HD1 PHE A 142 -3.777 3.702 4.458 1.00 33.25 H new ATOM 0 HD2 PHE A 142 0.216 2.343 5.058 1.00 75.01 H new ATOM 0 HE1 PHE A 142 -4.021 2.154 2.568 1.00 74.24 H new ATOM 0 HE2 PHE A 142 -0.026 0.793 3.168 1.00 44.25 H new ATOM 0 HZ PHE A 142 -2.144 0.699 1.915 1.00 40.41 H new ATOM 868 N SER A 143 -4.242 4.546 8.094 1.00 34.40 N ATOM 869 CA SER A 143 -5.688 4.714 8.176 1.00 15.10 C ATOM 870 C SER A 143 -6.209 5.526 6.994 1.00 62.24 C ATOM 871 O SER A 143 -5.545 6.447 6.518 1.00 11.32 O ATOM 872 CB SER A 143 -6.069 5.402 9.488 1.00 34.14 C ATOM 873 OG SER A 143 -5.382 6.632 9.638 1.00 61.01 O ATOM 0 H SER A 143 -3.707 5.218 8.644 1.00 34.40 H new ATOM 0 HA SER A 143 -6.146 3.725 8.145 1.00 15.10 H new ATOM 0 HB2 SER A 143 -7.145 5.578 9.511 1.00 34.14 H new ATOM 0 HB3 SER A 143 -5.835 4.747 10.327 1.00 34.14 H new ATOM 0 HG SER A 143 -5.644 7.052 10.483 1.00 61.01 H new ATOM 879 N VAL A 144 -7.402 5.176 6.523 1.00 1.31 N ATOM 880 CA VAL A 144 -8.013 5.872 5.397 1.00 34.21 C ATOM 881 C VAL A 144 -9.481 6.180 5.673 1.00 62.24 C ATOM 882 O VAL A 144 -10.349 5.325 5.500 1.00 45.14 O ATOM 883 CB VAL A 144 -7.908 5.044 4.102 1.00 12.42 C ATOM 884 CG1 VAL A 144 -8.371 5.863 2.906 1.00 30.34 C ATOM 885 CG2 VAL A 144 -6.484 4.549 3.901 1.00 41.41 C ATOM 0 H VAL A 144 -7.964 4.415 6.904 1.00 1.31 H new ATOM 0 HA VAL A 144 -7.467 6.806 5.267 1.00 34.21 H new ATOM 0 HB VAL A 144 -8.561 4.176 4.192 1.00 12.42 H new ATOM 0 HG11 VAL A 144 -8.290 5.262 2.000 1.00 30.34 H new ATOM 0 HG12 VAL A 144 -9.409 6.163 3.050 1.00 30.34 H new ATOM 0 HG13 VAL A 144 -7.746 6.751 2.809 1.00 30.34 H new ATOM 0 HG21 VAL A 144 -6.428 3.966 2.982 1.00 41.41 H new ATOM 0 HG22 VAL A 144 -5.809 5.402 3.832 1.00 41.41 H new ATOM 0 HG23 VAL A 144 -6.193 3.924 4.745 1.00 41.41 H new ATOM 895 N GLY A 145 -9.751 7.409 6.103 1.00 75.42 N ATOM 896 CA GLY A 145 -11.115 7.808 6.395 1.00 15.53 C ATOM 897 C GLY A 145 -11.813 6.846 7.336 1.00 3.13 C ATOM 898 O GLY A 145 -11.375 6.649 8.469 1.00 13.00 O ATOM 0 H GLY A 145 -9.050 8.134 6.254 1.00 75.42 H new ATOM 0 HA2 GLY A 145 -11.112 8.805 6.836 1.00 15.53 H new ATOM 0 HA3 GLY A 145 -11.678 7.873 5.464 1.00 15.53 H new ATOM 902 N ASN A 146 -12.902 6.246 6.867 1.00 41.43 N ATOM 903 CA ASN A 146 -13.663 5.301 7.676 1.00 64.14 C ATOM 904 C ASN A 146 -13.322 3.863 7.296 1.00 4.04 C ATOM 905 O ASN A 146 -14.146 2.959 7.441 1.00 5.31 O ATOM 906 CB ASN A 146 -15.164 5.543 7.504 1.00 4.20 C ATOM 907 CG ASN A 146 -15.704 4.938 6.223 1.00 33.41 C ATOM 908 OD1 ASN A 146 -15.262 5.280 5.126 1.00 1.14 O ATOM 909 ND2 ASN A 146 -16.667 4.032 6.357 1.00 4.40 N ATOM 0 H ASN A 146 -13.277 6.397 5.931 1.00 41.43 H new ATOM 0 HA ASN A 146 -13.394 5.456 8.721 1.00 64.14 H new ATOM 0 HB2 ASN A 146 -15.697 5.120 8.355 1.00 4.20 H new ATOM 0 HB3 ASN A 146 -15.359 6.615 7.507 1.00 4.20 H new ATOM 0 HD21 ASN A 146 -17.070 3.590 5.531 1.00 4.40 H new ATOM 0 HD22 ASN A 146 -17.003 3.779 7.286 1.00 4.40 H new ATOM 916 N HIS A 147 -12.101 3.658 6.811 1.00 53.44 N ATOM 917 CA HIS A 147 -11.650 2.330 6.412 1.00 72.15 C ATOM 918 C HIS A 147 -10.287 2.014 7.019 1.00 63.02 C ATOM 919 O HIS A 147 -9.596 2.904 7.515 1.00 12.22 O ATOM 920 CB HIS A 147 -11.579 2.229 4.888 1.00 45.14 C ATOM 921 CG HIS A 147 -12.835 2.665 4.199 1.00 71.43 C ATOM 922 ND1 HIS A 147 -14.082 2.174 4.526 1.00 65.01 N ATOM 923 CD2 HIS A 147 -13.033 3.552 3.196 1.00 40.00 C ATOM 924 CE1 HIS A 147 -14.992 2.739 3.753 1.00 4.40 C ATOM 925 NE2 HIS A 147 -14.381 3.580 2.937 1.00 13.24 N ATOM 0 H HIS A 147 -11.407 4.395 6.685 1.00 53.44 H new ATOM 0 HA HIS A 147 -12.371 1.602 6.783 1.00 72.15 H new ATOM 0 HB2 HIS A 147 -10.748 2.837 4.530 1.00 45.14 H new ATOM 0 HB3 HIS A 147 -11.361 1.198 4.610 1.00 45.14 H new ATOM 0 HD2 HIS A 147 -12.272 4.130 2.693 1.00 40.00 H new ATOM 0 HE1 HIS A 147 -16.054 2.546 3.783 1.00 4.40 H new ATOM 0 HE2 HIS A 147 -14.837 4.156 2.230 1.00 13.24 H new ATOM 933 N ASP A 148 -9.906 0.742 6.976 1.00 10.03 N ATOM 934 CA ASP A 148 -8.625 0.309 7.522 1.00 30.41 C ATOM 935 C ASP A 148 -7.803 -0.422 6.465 1.00 74.41 C ATOM 936 O ASP A 148 -7.886 -1.644 6.336 1.00 71.52 O ATOM 937 CB ASP A 148 -8.843 -0.599 8.734 1.00 54.13 C ATOM 938 CG ASP A 148 -9.821 -0.008 9.731 1.00 72.45 C ATOM 939 OD1 ASP A 148 -9.449 0.961 10.423 1.00 5.32 O ATOM 940 OD2 ASP A 148 -10.959 -0.517 9.819 1.00 42.54 O ATOM 0 H ASP A 148 -10.466 -0.007 6.569 1.00 10.03 H new ATOM 0 HA ASP A 148 -8.074 1.195 7.836 1.00 30.41 H new ATOM 0 HB2 ASP A 148 -9.213 -1.567 8.397 1.00 54.13 H new ATOM 0 HB3 ASP A 148 -7.888 -0.777 9.228 1.00 54.13 H new ATOM 945 N CYS A 149 -7.013 0.333 5.711 1.00 25.00 N ATOM 946 CA CYS A 149 -6.177 -0.243 4.663 1.00 1.13 C ATOM 947 C CYS A 149 -4.745 -0.435 5.153 1.00 14.54 C ATOM 948 O CYS A 149 -4.390 0.001 6.249 1.00 60.40 O ATOM 949 CB CYS A 149 -6.189 0.652 3.423 1.00 21.01 C ATOM 950 SG CYS A 149 -7.832 1.248 2.958 1.00 24.43 S ATOM 0 H CYS A 149 -6.933 1.346 5.805 1.00 25.00 H new ATOM 0 HA CYS A 149 -6.586 -1.219 4.402 1.00 1.13 H new ATOM 0 HB2 CYS A 149 -5.540 1.510 3.601 1.00 21.01 H new ATOM 0 HB3 CYS A 149 -5.764 0.099 2.585 1.00 21.01 H new ATOM 0 HG CYS A 149 -7.738 1.998 1.900 1.00 24.43 H new ATOM 956 N TYR A 150 -3.929 -1.089 4.336 1.00 64.51 N ATOM 957 CA TYR A 150 -2.537 -1.343 4.688 1.00 45.33 C ATOM 958 C TYR A 150 -1.794 -2.005 3.531 1.00 31.22 C ATOM 959 O TYR A 150 -2.367 -2.800 2.785 1.00 12.23 O ATOM 960 CB TYR A 150 -2.456 -2.227 5.933 1.00 32.02 C ATOM 961 CG TYR A 150 -3.075 -3.594 5.746 1.00 11.24 C ATOM 962 CD1 TYR A 150 -4.424 -3.808 6.000 1.00 72.01 C ATOM 963 CD2 TYR A 150 -2.310 -4.671 5.315 1.00 35.02 C ATOM 964 CE1 TYR A 150 -4.993 -5.055 5.831 1.00 34.33 C ATOM 965 CE2 TYR A 150 -2.872 -5.922 5.142 1.00 3.54 C ATOM 966 CZ TYR A 150 -4.213 -6.109 5.402 1.00 13.32 C ATOM 967 OH TYR A 150 -4.777 -7.352 5.232 1.00 61.44 O ATOM 0 H TYR A 150 -4.207 -1.453 3.425 1.00 64.51 H new ATOM 0 HA TYR A 150 -2.063 -0.385 4.900 1.00 45.33 H new ATOM 0 HB2 TYR A 150 -1.410 -2.347 6.216 1.00 32.02 H new ATOM 0 HB3 TYR A 150 -2.954 -1.722 6.760 1.00 32.02 H new ATOM 0 HD1 TYR A 150 -5.038 -2.985 6.335 1.00 72.01 H new ATOM 0 HD2 TYR A 150 -1.259 -4.528 5.112 1.00 35.02 H new ATOM 0 HE1 TYR A 150 -6.043 -5.204 6.034 1.00 34.33 H new ATOM 0 HE2 TYR A 150 -2.264 -6.748 4.805 1.00 3.54 H new ATOM 0 HH TYR A 150 -4.093 -7.983 4.925 1.00 61.44 H new ATOM 977 N ILE A 151 -0.516 -1.672 3.390 1.00 64.34 N ATOM 978 CA ILE A 151 0.307 -2.235 2.326 1.00 74.41 C ATOM 979 C ILE A 151 1.132 -3.413 2.834 1.00 53.02 C ATOM 980 O ILE A 151 2.054 -3.241 3.631 1.00 21.50 O ATOM 981 CB ILE A 151 1.254 -1.179 1.728 1.00 63.13 C ATOM 982 CG1 ILE A 151 0.499 -0.283 0.744 1.00 12.24 C ATOM 983 CG2 ILE A 151 2.433 -1.853 1.041 1.00 74.03 C ATOM 984 CD1 ILE A 151 1.333 0.856 0.201 1.00 11.34 C ATOM 0 H ILE A 151 -0.027 -1.015 3.999 1.00 64.34 H new ATOM 0 HA ILE A 151 -0.375 -2.580 1.549 1.00 74.41 H new ATOM 0 HB ILE A 151 1.637 -0.557 2.537 1.00 63.13 H new ATOM 0 HG12 ILE A 151 0.143 -0.890 -0.088 1.00 12.24 H new ATOM 0 HG13 ILE A 151 -0.381 0.126 1.240 1.00 12.24 H new ATOM 0 HG21 ILE A 151 3.094 -1.093 0.623 1.00 74.03 H new ATOM 0 HG22 ILE A 151 2.983 -2.453 1.767 1.00 74.03 H new ATOM 0 HG23 ILE A 151 2.068 -2.497 0.240 1.00 74.03 H new ATOM 0 HD11 ILE A 151 0.733 1.449 -0.490 1.00 11.34 H new ATOM 0 HD12 ILE A 151 1.668 1.487 1.025 1.00 11.34 H new ATOM 0 HD13 ILE A 151 2.200 0.454 -0.324 1.00 11.34 H new ATOM 996 N LYS A 152 0.795 -4.610 2.365 1.00 10.14 N ATOM 997 CA LYS A 152 1.506 -5.818 2.769 1.00 53.54 C ATOM 998 C LYS A 152 2.810 -5.967 1.991 1.00 14.41 C ATOM 999 O LYS A 152 2.807 -6.365 0.827 1.00 53.22 O ATOM 1000 CB LYS A 152 0.625 -7.050 2.549 1.00 0.31 C ATOM 1001 CG LYS A 152 1.367 -8.365 2.712 1.00 44.33 C ATOM 1002 CD LYS A 152 0.468 -9.446 3.287 1.00 54.33 C ATOM 1003 CE LYS A 152 1.274 -10.522 3.998 1.00 14.20 C ATOM 1004 NZ LYS A 152 0.651 -11.867 3.854 1.00 24.01 N ATOM 0 H LYS A 152 0.034 -4.770 1.705 1.00 10.14 H new ATOM 0 HA LYS A 152 1.743 -5.733 3.829 1.00 53.54 H new ATOM 0 HB2 LYS A 152 -0.207 -7.022 3.253 1.00 0.31 H new ATOM 0 HB3 LYS A 152 0.197 -7.006 1.548 1.00 0.31 H new ATOM 0 HG2 LYS A 152 1.753 -8.688 1.745 1.00 44.33 H new ATOM 0 HG3 LYS A 152 2.227 -8.220 3.366 1.00 44.33 H new ATOM 0 HD2 LYS A 152 -0.239 -8.999 3.985 1.00 54.33 H new ATOM 0 HD3 LYS A 152 -0.117 -9.898 2.486 1.00 54.33 H new ATOM 0 HE2 LYS A 152 2.286 -10.545 3.593 1.00 14.20 H new ATOM 0 HE3 LYS A 152 1.359 -10.273 5.056 1.00 14.20 H new ATOM 0 HZ1 LYS A 152 1.230 -12.573 4.352 1.00 24.01 H new ATOM 0 HZ2 LYS A 152 -0.305 -11.852 4.263 1.00 24.01 H new ATOM 0 HZ3 LYS A 152 0.593 -12.116 2.846 1.00 24.01 H new ATOM 1018 N ALA A 153 3.922 -5.646 2.643 1.00 1.44 N ATOM 1019 CA ALA A 153 5.233 -5.747 2.014 1.00 30.41 C ATOM 1020 C ALA A 153 5.902 -7.076 2.350 1.00 13.04 C ATOM 1021 O ALA A 153 5.723 -7.614 3.443 1.00 14.44 O ATOM 1022 CB ALA A 153 6.117 -4.586 2.444 1.00 15.21 C ATOM 0 H ALA A 153 3.941 -5.314 3.607 1.00 1.44 H new ATOM 0 HA ALA A 153 5.094 -5.702 0.934 1.00 30.41 H new ATOM 0 HB1 ALA A 153 7.093 -4.675 1.966 1.00 15.21 H new ATOM 0 HB2 ALA A 153 5.652 -3.646 2.148 1.00 15.21 H new ATOM 0 HB3 ALA A 153 6.240 -4.604 3.527 1.00 15.21 H new ATOM 1028 N VAL A 154 6.673 -7.602 1.404 1.00 53.43 N ATOM 1029 CA VAL A 154 7.369 -8.868 1.600 1.00 13.40 C ATOM 1030 C VAL A 154 8.737 -8.853 0.928 1.00 51.53 C ATOM 1031 O VAL A 154 8.842 -8.668 -0.285 1.00 23.03 O ATOM 1032 CB VAL A 154 6.550 -10.050 1.047 1.00 3.43 C ATOM 1033 CG1 VAL A 154 7.191 -11.372 1.438 1.00 25.42 C ATOM 1034 CG2 VAL A 154 5.113 -9.978 1.540 1.00 72.32 C ATOM 0 H VAL A 154 6.832 -7.171 0.493 1.00 53.43 H new ATOM 0 HA VAL A 154 7.497 -8.996 2.675 1.00 13.40 H new ATOM 0 HB VAL A 154 6.540 -9.986 -0.041 1.00 3.43 H new ATOM 0 HG11 VAL A 154 6.599 -12.196 1.039 1.00 25.42 H new ATOM 0 HG12 VAL A 154 8.201 -11.421 1.031 1.00 25.42 H new ATOM 0 HG13 VAL A 154 7.233 -11.449 2.524 1.00 25.42 H new ATOM 0 HG21 VAL A 154 4.548 -10.820 1.140 1.00 72.32 H new ATOM 0 HG22 VAL A 154 5.100 -10.017 2.629 1.00 72.32 H new ATOM 0 HG23 VAL A 154 4.660 -9.045 1.205 1.00 72.32 H new ATOM 1044 N SER A 155 9.783 -9.048 1.724 1.00 64.45 N ATOM 1045 CA SER A 155 11.147 -9.054 1.206 1.00 33.21 C ATOM 1046 C SER A 155 11.540 -10.448 0.726 1.00 54.03 C ATOM 1047 O SER A 155 11.196 -11.452 1.350 1.00 54.40 O ATOM 1048 CB SER A 155 12.125 -8.579 2.282 1.00 40.41 C ATOM 1049 OG SER A 155 12.692 -9.676 2.977 1.00 41.25 O ATOM 0 H SER A 155 9.713 -9.204 2.730 1.00 64.45 H new ATOM 0 HA SER A 155 11.190 -8.371 0.358 1.00 33.21 H new ATOM 0 HB2 SER A 155 12.917 -7.987 1.822 1.00 40.41 H new ATOM 0 HB3 SER A 155 11.608 -7.927 2.986 1.00 40.41 H new ATOM 0 HG SER A 155 13.314 -9.345 3.658 1.00 41.25 H new ATOM 1055 N SER A 156 12.263 -10.501 -0.388 1.00 75.14 N ATOM 1056 CA SER A 156 12.700 -11.771 -0.956 1.00 72.11 C ATOM 1057 C SER A 156 14.182 -11.724 -1.316 1.00 14.21 C ATOM 1058 O SER A 156 14.712 -10.673 -1.672 1.00 4.42 O ATOM 1059 CB SER A 156 11.873 -12.111 -2.197 1.00 55.24 C ATOM 1060 OG SER A 156 12.445 -11.543 -3.363 1.00 12.12 O ATOM 0 H SER A 156 12.559 -9.679 -0.915 1.00 75.14 H new ATOM 0 HA SER A 156 12.551 -12.547 -0.205 1.00 72.11 H new ATOM 0 HB2 SER A 156 11.809 -13.193 -2.310 1.00 55.24 H new ATOM 0 HB3 SER A 156 10.855 -11.743 -2.071 1.00 55.24 H new ATOM 0 HG SER A 156 12.482 -10.568 -3.268 1.00 12.12 H new ATOM 1066 N GLY A 157 14.845 -12.872 -1.220 1.00 34.51 N ATOM 1067 CA GLY A 157 16.259 -12.942 -1.538 1.00 12.50 C ATOM 1068 C GLY A 157 17.117 -13.188 -0.313 1.00 62.22 C ATOM 1069 O GLY A 157 16.618 -13.614 0.729 1.00 63.23 O ATOM 0 H GLY A 157 14.428 -13.756 -0.927 1.00 34.51 H new ATOM 0 HA2 GLY A 157 16.427 -13.740 -2.261 1.00 12.50 H new ATOM 0 HA3 GLY A 157 16.568 -12.011 -2.013 1.00 12.50 H new ATOM 1073 N LYS A 158 18.413 -12.922 -0.437 1.00 51.33 N ATOM 1074 CA LYS A 158 19.344 -13.117 0.668 1.00 61.25 C ATOM 1075 C LYS A 158 18.919 -12.306 1.887 1.00 1.13 C ATOM 1076 O LYS A 158 18.928 -12.807 3.012 1.00 72.44 O ATOM 1077 CB LYS A 158 20.760 -12.719 0.245 1.00 50.21 C ATOM 1078 CG LYS A 158 21.680 -13.904 0.008 1.00 2.24 C ATOM 1079 CD LYS A 158 22.085 -14.013 -1.452 1.00 51.22 C ATOM 1080 CE LYS A 158 22.073 -15.458 -1.927 1.00 50.44 C ATOM 1081 NZ LYS A 158 23.160 -16.258 -1.298 1.00 11.41 N ATOM 0 H LYS A 158 18.843 -12.570 -1.293 1.00 51.33 H new ATOM 0 HA LYS A 158 19.335 -14.174 0.936 1.00 61.25 H new ATOM 0 HB2 LYS A 158 20.704 -12.125 -0.667 1.00 50.21 H new ATOM 0 HB3 LYS A 158 21.194 -12.081 1.015 1.00 50.21 H new ATOM 0 HG2 LYS A 158 22.571 -13.803 0.627 1.00 2.24 H new ATOM 0 HG3 LYS A 158 21.180 -14.822 0.317 1.00 2.24 H new ATOM 0 HD2 LYS A 158 21.404 -13.422 -2.065 1.00 51.22 H new ATOM 0 HD3 LYS A 158 23.082 -13.593 -1.587 1.00 51.22 H new ATOM 0 HE2 LYS A 158 21.109 -15.909 -1.693 1.00 50.44 H new ATOM 0 HE3 LYS A 158 22.183 -15.485 -3.011 1.00 50.44 H new ATOM 0 HZ1 LYS A 158 23.118 -17.237 -1.648 1.00 11.41 H new ATOM 0 HZ2 LYS A 158 24.082 -15.843 -1.542 1.00 11.41 H new ATOM 0 HZ3 LYS A 158 23.041 -16.254 -0.265 1.00 11.41 H new ATOM 1095 N ARG A 159 18.547 -11.051 1.657 1.00 34.13 N ATOM 1096 CA ARG A 159 18.118 -10.171 2.738 1.00 71.13 C ATOM 1097 C ARG A 159 17.183 -9.084 2.215 1.00 23.02 C ATOM 1098 O ARG A 159 16.029 -8.989 2.633 1.00 41.42 O ATOM 1099 CB ARG A 159 19.331 -9.533 3.416 1.00 45.41 C ATOM 1100 CG ARG A 159 19.606 -10.075 4.809 1.00 13.53 C ATOM 1101 CD ARG A 159 19.803 -8.951 5.815 1.00 20.10 C ATOM 1102 NE ARG A 159 20.405 -9.428 7.057 1.00 24.00 N ATOM 1103 CZ ARG A 159 20.465 -8.705 8.170 1.00 42.02 C ATOM 1104 NH1 ARG A 159 19.962 -7.479 8.195 1.00 15.24 N ATOM 1105 NH2 ARG A 159 21.029 -9.209 9.260 1.00 3.51 N ATOM 0 H ARG A 159 18.534 -10.621 0.732 1.00 34.13 H new ATOM 0 HA ARG A 159 17.576 -10.771 3.469 1.00 71.13 H new ATOM 0 HB2 ARG A 159 20.211 -9.693 2.793 1.00 45.41 H new ATOM 0 HB3 ARG A 159 19.177 -8.456 3.479 1.00 45.41 H new ATOM 0 HG2 ARG A 159 18.776 -10.707 5.125 1.00 13.53 H new ATOM 0 HG3 ARG A 159 20.495 -10.705 4.787 1.00 13.53 H new ATOM 0 HD2 ARG A 159 20.437 -8.180 5.378 1.00 20.10 H new ATOM 0 HD3 ARG A 159 18.841 -8.487 6.033 1.00 20.10 H new ATOM 0 HE ARG A 159 20.801 -10.368 7.071 1.00 24.00 H new ATOM 0 HH11 ARG A 159 19.528 -7.089 7.359 1.00 15.24 H new ATOM 0 HH12 ARG A 159 20.009 -6.926 9.051 1.00 15.24 H new ATOM 0 HH21 ARG A 159 21.417 -10.152 9.244 1.00 3.51 H new ATOM 0 HH22 ARG A 159 21.075 -8.653 10.114 1.00 3.51 H new ATOM 1119 N LYS A 160 17.690 -8.266 1.299 1.00 0.43 N ATOM 1120 CA LYS A 160 16.902 -7.185 0.718 1.00 30.21 C ATOM 1121 C LYS A 160 17.123 -7.101 -0.789 1.00 15.42 C ATOM 1122 O LYS A 160 17.174 -6.010 -1.357 1.00 33.41 O ATOM 1123 CB LYS A 160 17.266 -5.851 1.373 1.00 24.02 C ATOM 1124 CG LYS A 160 17.056 -5.834 2.877 1.00 35.33 C ATOM 1125 CD LYS A 160 17.523 -4.525 3.491 1.00 31.34 C ATOM 1126 CE LYS A 160 18.673 -4.745 4.462 1.00 12.55 C ATOM 1127 NZ LYS A 160 18.902 -3.555 5.328 1.00 3.31 N ATOM 0 H LYS A 160 18.644 -8.331 0.943 1.00 0.43 H new ATOM 0 HA LYS A 160 15.849 -7.397 0.902 1.00 30.21 H new ATOM 0 HB2 LYS A 160 18.310 -5.623 1.158 1.00 24.02 H new ATOM 0 HB3 LYS A 160 16.668 -5.059 0.922 1.00 24.02 H new ATOM 0 HG2 LYS A 160 16.000 -5.985 3.099 1.00 35.33 H new ATOM 0 HG3 LYS A 160 17.599 -6.664 3.330 1.00 35.33 H new ATOM 0 HD2 LYS A 160 17.838 -3.843 2.701 1.00 31.34 H new ATOM 0 HD3 LYS A 160 16.692 -4.049 4.011 1.00 31.34 H new ATOM 0 HE2 LYS A 160 18.461 -5.613 5.086 1.00 12.55 H new ATOM 0 HE3 LYS A 160 19.582 -4.969 3.904 1.00 12.55 H new ATOM 0 HZ1 LYS A 160 19.693 -3.744 5.976 1.00 3.31 H new ATOM 0 HZ2 LYS A 160 19.130 -2.732 4.734 1.00 3.31 H new ATOM 0 HZ3 LYS A 160 18.043 -3.357 5.880 1.00 3.31 H new ATOM 1141 N GLU A 161 17.251 -8.258 -1.430 1.00 31.34 N ATOM 1142 CA GLU A 161 17.465 -8.313 -2.871 1.00 21.31 C ATOM 1143 C GLU A 161 16.271 -7.729 -3.621 1.00 24.20 C ATOM 1144 O GLU A 161 16.399 -6.735 -4.334 1.00 14.31 O ATOM 1145 CB GLU A 161 17.706 -9.757 -3.318 1.00 41.54 C ATOM 1146 CG GLU A 161 18.950 -9.929 -4.174 1.00 11.21 C ATOM 1147 CD GLU A 161 18.773 -9.382 -5.577 1.00 42.11 C ATOM 1148 OE1 GLU A 161 18.260 -10.121 -6.443 1.00 25.53 O ATOM 1149 OE2 GLU A 161 19.148 -8.213 -5.809 1.00 71.21 O ATOM 0 H GLU A 161 17.210 -9.170 -0.974 1.00 31.34 H new ATOM 0 HA GLU A 161 18.346 -7.716 -3.105 1.00 21.31 H new ATOM 0 HB2 GLU A 161 17.791 -10.392 -2.436 1.00 41.54 H new ATOM 0 HB3 GLU A 161 16.838 -10.105 -3.879 1.00 41.54 H new ATOM 0 HG2 GLU A 161 19.789 -9.425 -3.695 1.00 11.21 H new ATOM 0 HG3 GLU A 161 19.204 -10.987 -4.230 1.00 11.21 H new ATOM 1156 N GLY A 162 15.111 -8.356 -3.455 1.00 33.25 N ATOM 1157 CA GLY A 162 13.911 -7.886 -4.122 1.00 1.20 C ATOM 1158 C GLY A 162 12.709 -7.855 -3.200 1.00 14.25 C ATOM 1159 O GLY A 162 12.334 -8.876 -2.623 1.00 24.25 O ATOM 0 H GLY A 162 14.981 -9.182 -2.870 1.00 33.25 H new ATOM 0 HA2 GLY A 162 14.087 -6.886 -4.518 1.00 1.20 H new ATOM 0 HA3 GLY A 162 13.696 -8.532 -4.973 1.00 1.20 H new ATOM 1163 N ILE A 163 12.103 -6.680 -3.059 1.00 22.43 N ATOM 1164 CA ILE A 163 10.937 -6.521 -2.199 1.00 72.21 C ATOM 1165 C ILE A 163 9.680 -6.259 -3.021 1.00 74.15 C ATOM 1166 O ILE A 163 9.730 -5.595 -4.057 1.00 5.51 O ATOM 1167 CB ILE A 163 11.130 -5.369 -1.196 1.00 11.31 C ATOM 1168 CG1 ILE A 163 12.388 -5.599 -0.357 1.00 24.42 C ATOM 1169 CG2 ILE A 163 9.907 -5.235 -0.301 1.00 20.12 C ATOM 1170 CD1 ILE A 163 12.718 -4.448 0.567 1.00 2.00 C ATOM 0 H ILE A 163 12.400 -5.825 -3.529 1.00 22.43 H new ATOM 0 HA ILE A 163 10.821 -7.455 -1.649 1.00 72.21 H new ATOM 0 HB ILE A 163 11.252 -4.440 -1.752 1.00 11.31 H new ATOM 0 HG12 ILE A 163 12.259 -6.504 0.236 1.00 24.42 H new ATOM 0 HG13 ILE A 163 13.233 -5.772 -1.024 1.00 24.42 H new ATOM 0 HG21 ILE A 163 10.059 -4.416 0.403 1.00 20.12 H new ATOM 0 HG22 ILE A 163 9.029 -5.029 -0.913 1.00 20.12 H new ATOM 0 HG23 ILE A 163 9.756 -6.163 0.250 1.00 20.12 H new ATOM 0 HD11 ILE A 163 13.622 -4.681 1.130 1.00 2.00 H new ATOM 0 HD12 ILE A 163 12.880 -3.544 -0.021 1.00 2.00 H new ATOM 0 HD13 ILE A 163 11.891 -4.288 1.258 1.00 2.00 H new ATOM 1182 N ILE A 164 8.553 -6.784 -2.553 1.00 14.04 N ATOM 1183 CA ILE A 164 7.282 -6.604 -3.243 1.00 74.21 C ATOM 1184 C ILE A 164 6.199 -6.119 -2.285 1.00 22.22 C ATOM 1185 O ILE A 164 5.976 -6.715 -1.231 1.00 35.33 O ATOM 1186 CB ILE A 164 6.813 -7.911 -3.910 1.00 23.12 C ATOM 1187 CG1 ILE A 164 7.875 -8.420 -4.886 1.00 64.15 C ATOM 1188 CG2 ILE A 164 5.488 -7.695 -4.625 1.00 70.42 C ATOM 1189 CD1 ILE A 164 8.370 -9.814 -4.569 1.00 12.01 C ATOM 0 H ILE A 164 8.494 -7.338 -1.698 1.00 14.04 H new ATOM 0 HA ILE A 164 7.446 -5.851 -4.013 1.00 74.21 H new ATOM 0 HB ILE A 164 6.667 -8.665 -3.136 1.00 23.12 H new ATOM 0 HG12 ILE A 164 7.463 -8.410 -5.895 1.00 64.15 H new ATOM 0 HG13 ILE A 164 8.721 -7.733 -4.880 1.00 64.15 H new ATOM 0 HG21 ILE A 164 5.170 -8.628 -5.091 1.00 70.42 H new ATOM 0 HG22 ILE A 164 4.735 -7.373 -3.906 1.00 70.42 H new ATOM 0 HG23 ILE A 164 5.609 -6.929 -5.391 1.00 70.42 H new ATOM 0 HD11 ILE A 164 9.121 -10.109 -5.302 1.00 12.01 H new ATOM 0 HD12 ILE A 164 8.812 -9.825 -3.573 1.00 12.01 H new ATOM 0 HD13 ILE A 164 7.535 -10.513 -4.604 1.00 12.01 H new ATOM 1201 N HIS A 165 5.528 -5.034 -2.659 1.00 21.33 N ATOM 1202 CA HIS A 165 4.466 -4.470 -1.833 1.00 42.02 C ATOM 1203 C HIS A 165 3.094 -4.787 -2.421 1.00 45.13 C ATOM 1204 O HIS A 165 2.886 -4.682 -3.630 1.00 53.14 O ATOM 1205 CB HIS A 165 4.641 -2.957 -1.704 1.00 43.43 C ATOM 1206 CG HIS A 165 6.066 -2.532 -1.518 1.00 35.23 C ATOM 1207 ND1 HIS A 165 6.855 -2.071 -2.550 1.00 72.11 N ATOM 1208 CD2 HIS A 165 6.842 -2.499 -0.409 1.00 74.32 C ATOM 1209 CE1 HIS A 165 8.055 -1.775 -2.085 1.00 42.41 C ATOM 1210 NE2 HIS A 165 8.073 -2.025 -0.788 1.00 63.14 N ATOM 0 H HIS A 165 5.701 -4.528 -3.528 1.00 21.33 H new ATOM 0 HA HIS A 165 4.531 -4.922 -0.843 1.00 42.02 H new ATOM 0 HB2 HIS A 165 4.241 -2.476 -2.596 1.00 43.43 H new ATOM 0 HB3 HIS A 165 4.051 -2.602 -0.859 1.00 43.43 H new ATOM 0 HD2 HIS A 165 6.547 -2.791 0.588 1.00 74.32 H new ATOM 0 HE1 HIS A 165 8.881 -1.393 -2.666 1.00 42.41 H new ATOM 0 HE2 HIS A 165 8.872 -1.888 -0.169 1.00 63.14 H new ATOM 1218 N THR A 166 2.161 -5.176 -1.558 1.00 63.30 N ATOM 1219 CA THR A 166 0.811 -5.511 -1.992 1.00 13.53 C ATOM 1220 C THR A 166 -0.232 -4.758 -1.172 1.00 62.43 C ATOM 1221 O THR A 166 -0.475 -5.084 -0.009 1.00 54.35 O ATOM 1222 CB THR A 166 0.542 -7.023 -1.879 1.00 25.15 C ATOM 1223 OG1 THR A 166 1.706 -7.691 -1.377 1.00 52.24 O ATOM 1224 CG2 THR A 166 0.159 -7.607 -3.230 1.00 31.33 C ATOM 0 H THR A 166 2.316 -5.267 -0.554 1.00 63.30 H new ATOM 0 HA THR A 166 0.733 -5.214 -3.038 1.00 13.53 H new ATOM 0 HB THR A 166 -0.288 -7.172 -1.189 1.00 25.15 H new ATOM 0 HG1 THR A 166 1.968 -7.293 -0.521 1.00 52.24 H new ATOM 0 HG21 THR A 166 -0.026 -8.676 -3.125 1.00 31.33 H new ATOM 0 HG22 THR A 166 -0.743 -7.117 -3.596 1.00 31.33 H new ATOM 0 HG23 THR A 166 0.971 -7.447 -3.939 1.00 31.33 H new ATOM 1232 N LEU A 167 -0.845 -3.752 -1.785 1.00 33.01 N ATOM 1233 CA LEU A 167 -1.864 -2.953 -1.112 1.00 24.22 C ATOM 1234 C LEU A 167 -3.092 -3.797 -0.789 1.00 34.21 C ATOM 1235 O LEU A 167 -3.522 -4.620 -1.598 1.00 13.00 O ATOM 1236 CB LEU A 167 -2.264 -1.762 -1.984 1.00 1.34 C ATOM 1237 CG LEU A 167 -3.494 -0.978 -1.525 1.00 53.02 C ATOM 1238 CD1 LEU A 167 -3.300 -0.459 -0.109 1.00 24.21 C ATOM 1239 CD2 LEU A 167 -3.782 0.171 -2.481 1.00 64.41 C ATOM 0 H LEU A 167 -0.655 -3.470 -2.747 1.00 33.01 H new ATOM 0 HA LEU A 167 -1.443 -2.585 -0.176 1.00 24.22 H new ATOM 0 HB2 LEU A 167 -1.419 -1.076 -2.036 1.00 1.34 H new ATOM 0 HB3 LEU A 167 -2.445 -2.123 -2.996 1.00 1.34 H new ATOM 0 HG LEU A 167 -4.351 -1.651 -1.529 1.00 53.02 H new ATOM 0 HD11 LEU A 167 -4.186 0.096 0.200 1.00 24.21 H new ATOM 0 HD12 LEU A 167 -3.144 -1.299 0.568 1.00 24.21 H new ATOM 0 HD13 LEU A 167 -2.431 0.198 -0.078 1.00 24.21 H new ATOM 0 HD21 LEU A 167 -4.661 0.718 -2.139 1.00 64.41 H new ATOM 0 HD22 LEU A 167 -2.925 0.844 -2.510 1.00 64.41 H new ATOM 0 HD23 LEU A 167 -3.967 -0.224 -3.480 1.00 64.41 H new ATOM 1251 N ILE A 168 -3.654 -3.586 0.397 1.00 61.13 N ATOM 1252 CA ILE A 168 -4.835 -4.325 0.824 1.00 32.24 C ATOM 1253 C ILE A 168 -5.842 -3.405 1.506 1.00 32.21 C ATOM 1254 O ILE A 168 -5.493 -2.645 2.409 1.00 2.30 O ATOM 1255 CB ILE A 168 -4.466 -5.468 1.789 1.00 42.32 C ATOM 1256 CG1 ILE A 168 -3.415 -6.381 1.154 1.00 44.51 C ATOM 1257 CG2 ILE A 168 -5.706 -6.263 2.168 1.00 52.22 C ATOM 1258 CD1 ILE A 168 -3.227 -7.689 1.890 1.00 42.23 C ATOM 0 H ILE A 168 -3.310 -2.909 1.079 1.00 61.13 H new ATOM 0 HA ILE A 168 -5.283 -4.749 -0.074 1.00 32.24 H new ATOM 0 HB ILE A 168 -4.045 -5.036 2.696 1.00 42.32 H new ATOM 0 HG12 ILE A 168 -3.703 -6.591 0.124 1.00 44.51 H new ATOM 0 HG13 ILE A 168 -2.462 -5.854 1.117 1.00 44.51 H new ATOM 0 HG21 ILE A 168 -5.429 -7.067 2.850 1.00 52.22 H new ATOM 0 HG22 ILE A 168 -6.425 -5.605 2.656 1.00 52.22 H new ATOM 0 HG23 ILE A 168 -6.154 -6.688 1.270 1.00 52.22 H new ATOM 0 HD11 ILE A 168 -2.468 -8.285 1.384 1.00 42.23 H new ATOM 0 HD12 ILE A 168 -2.909 -7.488 2.913 1.00 42.23 H new ATOM 0 HD13 ILE A 168 -4.169 -8.237 1.904 1.00 42.23 H new ATOM 1270 N VAL A 169 -7.095 -3.481 1.069 1.00 53.11 N ATOM 1271 CA VAL A 169 -8.155 -2.657 1.639 1.00 61.33 C ATOM 1272 C VAL A 169 -9.321 -3.515 2.117 1.00 61.33 C ATOM 1273 O VAL A 169 -9.991 -4.171 1.319 1.00 65.24 O ATOM 1274 CB VAL A 169 -8.675 -1.627 0.619 1.00 45.33 C ATOM 1275 CG1 VAL A 169 -9.836 -0.837 1.202 1.00 74.11 C ATOM 1276 CG2 VAL A 169 -7.552 -0.697 0.183 1.00 14.40 C ATOM 0 H VAL A 169 -7.401 -4.105 0.322 1.00 53.11 H new ATOM 0 HA VAL A 169 -7.723 -2.129 2.489 1.00 61.33 H new ATOM 0 HB VAL A 169 -9.036 -2.161 -0.260 1.00 45.33 H new ATOM 0 HG11 VAL A 169 -10.190 -0.114 0.467 1.00 74.11 H new ATOM 0 HG12 VAL A 169 -10.647 -1.518 1.460 1.00 74.11 H new ATOM 0 HG13 VAL A 169 -9.505 -0.311 2.097 1.00 74.11 H new ATOM 0 HG21 VAL A 169 -7.936 0.025 -0.538 1.00 14.40 H new ATOM 0 HG22 VAL A 169 -7.159 -0.168 1.052 1.00 14.40 H new ATOM 0 HG23 VAL A 169 -6.755 -1.280 -0.278 1.00 14.40 H new ATOM 1286 N ASP A 170 -9.558 -3.505 3.424 1.00 74.43 N ATOM 1287 CA ASP A 170 -10.645 -4.282 4.009 1.00 13.42 C ATOM 1288 C ASP A 170 -10.418 -5.776 3.804 1.00 25.11 C ATOM 1289 O ASP A 170 -11.324 -6.502 3.397 1.00 3.32 O ATOM 1290 CB ASP A 170 -11.984 -3.868 3.396 1.00 61.23 C ATOM 1291 CG ASP A 170 -13.113 -3.883 4.407 1.00 54.12 C ATOM 1292 OD1 ASP A 170 -13.639 -4.979 4.692 1.00 14.31 O ATOM 1293 OD2 ASP A 170 -13.472 -2.798 4.912 1.00 21.43 O ATOM 0 H ASP A 170 -9.013 -2.968 4.098 1.00 74.43 H new ATOM 0 HA ASP A 170 -10.666 -4.080 5.080 1.00 13.42 H new ATOM 0 HB2 ASP A 170 -11.893 -2.868 2.973 1.00 61.23 H new ATOM 0 HB3 ASP A 170 -12.227 -4.541 2.574 1.00 61.23 H new ATOM 1298 N ASN A 171 -9.200 -6.228 4.088 1.00 74.41 N ATOM 1299 CA ASN A 171 -8.853 -7.636 3.933 1.00 61.31 C ATOM 1300 C ASN A 171 -9.065 -8.094 2.493 1.00 15.21 C ATOM 1301 O ASN A 171 -9.591 -9.180 2.247 1.00 1.42 O ATOM 1302 CB ASN A 171 -9.689 -8.497 4.882 1.00 13.01 C ATOM 1303 CG ASN A 171 -9.137 -8.504 6.294 1.00 21.14 C ATOM 1304 OD1 ASN A 171 -7.967 -8.192 6.517 1.00 51.32 O ATOM 1305 ND2 ASN A 171 -9.979 -8.862 7.257 1.00 42.10 N ATOM 0 H ASN A 171 -8.438 -5.640 4.426 1.00 74.41 H new ATOM 0 HA ASN A 171 -7.798 -7.753 4.181 1.00 61.31 H new ATOM 0 HB2 ASN A 171 -10.714 -8.126 4.897 1.00 13.01 H new ATOM 0 HB3 ASN A 171 -9.726 -9.519 4.504 1.00 13.01 H new ATOM 0 HD21 ASN A 171 -9.664 -8.886 8.227 1.00 42.10 H new ATOM 0 HD22 ASN A 171 -10.940 -9.113 7.027 1.00 42.10 H new ATOM 1312 N ARG A 172 -8.653 -7.258 1.546 1.00 70.25 N ATOM 1313 CA ARG A 172 -8.799 -7.576 0.130 1.00 24.22 C ATOM 1314 C ARG A 172 -7.556 -7.160 -0.651 1.00 42.12 C ATOM 1315 O ARG A 172 -7.140 -6.003 -0.602 1.00 45.03 O ATOM 1316 CB ARG A 172 -10.033 -6.881 -0.446 1.00 52.33 C ATOM 1317 CG ARG A 172 -11.157 -7.837 -0.810 1.00 61.41 C ATOM 1318 CD ARG A 172 -11.625 -7.628 -2.242 1.00 32.14 C ATOM 1319 NE ARG A 172 -12.991 -8.103 -2.446 1.00 11.23 N ATOM 1320 CZ ARG A 172 -13.680 -7.902 -3.564 1.00 3.33 C ATOM 1321 NH1 ARG A 172 -13.132 -7.239 -4.573 1.00 55.11 N ATOM 1322 NH2 ARG A 172 -14.918 -8.365 -3.674 1.00 13.22 N ATOM 0 H ARG A 172 -8.216 -6.356 1.733 1.00 70.25 H new ATOM 0 HA ARG A 172 -8.922 -8.655 0.036 1.00 24.22 H new ATOM 0 HB2 ARG A 172 -10.404 -6.157 0.280 1.00 52.33 H new ATOM 0 HB3 ARG A 172 -9.742 -6.321 -1.335 1.00 52.33 H new ATOM 0 HG2 ARG A 172 -10.817 -8.865 -0.684 1.00 61.41 H new ATOM 0 HG3 ARG A 172 -11.995 -7.692 -0.128 1.00 61.41 H new ATOM 0 HD2 ARG A 172 -11.569 -6.568 -2.491 1.00 32.14 H new ATOM 0 HD3 ARG A 172 -10.954 -8.151 -2.923 1.00 32.14 H new ATOM 0 HE ARG A 172 -13.441 -8.617 -1.689 1.00 11.23 H new ATOM 0 HH11 ARG A 172 -12.180 -6.882 -4.492 1.00 55.11 H new ATOM 0 HH12 ARG A 172 -13.663 -7.086 -5.431 1.00 55.11 H new ATOM 0 HH21 ARG A 172 -15.342 -8.876 -2.900 1.00 13.22 H new ATOM 0 HH22 ARG A 172 -15.446 -8.210 -4.533 1.00 13.22 H new ATOM 1336 N GLU A 173 -6.969 -8.112 -1.370 1.00 43.52 N ATOM 1337 CA GLU A 173 -5.773 -7.843 -2.160 1.00 40.14 C ATOM 1338 C GLU A 173 -6.060 -6.813 -3.249 1.00 74.44 C ATOM 1339 O GLU A 173 -7.161 -6.767 -3.800 1.00 31.44 O ATOM 1340 CB GLU A 173 -5.250 -9.136 -2.790 1.00 51.44 C ATOM 1341 CG GLU A 173 -3.735 -9.198 -2.883 1.00 43.11 C ATOM 1342 CD GLU A 173 -3.195 -10.599 -2.674 1.00 63.43 C ATOM 1343 OE1 GLU A 173 -3.893 -11.565 -3.047 1.00 71.34 O ATOM 1344 OE2 GLU A 173 -2.075 -10.731 -2.138 1.00 2.51 O ATOM 0 H GLU A 173 -7.302 -9.075 -1.422 1.00 43.52 H new ATOM 0 HA GLU A 173 -5.012 -7.438 -1.493 1.00 40.14 H new ATOM 0 HB2 GLU A 173 -5.605 -9.985 -2.205 1.00 51.44 H new ATOM 0 HB3 GLU A 173 -5.672 -9.240 -3.790 1.00 51.44 H new ATOM 0 HG2 GLU A 173 -3.419 -8.833 -3.860 1.00 43.11 H new ATOM 0 HG3 GLU A 173 -3.301 -8.531 -2.138 1.00 43.11 H new ATOM 1351 N ILE A 174 -5.064 -5.990 -3.554 1.00 45.44 N ATOM 1352 CA ILE A 174 -5.209 -4.961 -4.577 1.00 63.43 C ATOM 1353 C ILE A 174 -4.187 -5.148 -5.694 1.00 23.34 C ATOM 1354 O ILE A 174 -2.992 -5.320 -5.453 1.00 23.25 O ATOM 1355 CB ILE A 174 -5.050 -3.549 -3.983 1.00 34.52 C ATOM 1356 CG1 ILE A 174 -6.135 -3.289 -2.935 1.00 42.03 C ATOM 1357 CG2 ILE A 174 -5.107 -2.502 -5.084 1.00 55.52 C ATOM 1358 CD1 ILE A 174 -7.050 -2.137 -3.286 1.00 43.34 C ATOM 0 H ILE A 174 -4.147 -6.015 -3.108 1.00 45.44 H new ATOM 0 HA ILE A 174 -6.214 -5.063 -4.986 1.00 63.43 H new ATOM 0 HB ILE A 174 -4.077 -3.482 -3.496 1.00 34.52 H new ATOM 0 HG12 ILE A 174 -6.732 -4.192 -2.811 1.00 42.03 H new ATOM 0 HG13 ILE A 174 -5.660 -3.086 -1.975 1.00 42.03 H new ATOM 0 HG21 ILE A 174 -4.993 -1.509 -4.648 1.00 55.52 H new ATOM 0 HG22 ILE A 174 -4.302 -2.680 -5.797 1.00 55.52 H new ATOM 0 HG23 ILE A 174 -6.067 -2.565 -5.597 1.00 55.52 H new ATOM 0 HD11 ILE A 174 -7.794 -2.010 -2.499 1.00 43.34 H new ATOM 0 HD12 ILE A 174 -6.464 -1.223 -3.382 1.00 43.34 H new ATOM 0 HD13 ILE A 174 -7.553 -2.346 -4.230 1.00 43.34 H new ATOM 1370 N PRO A 175 -4.665 -5.112 -6.946 1.00 73.40 N ATOM 1371 CA PRO A 175 -3.810 -5.273 -8.125 1.00 63.54 C ATOM 1372 C PRO A 175 -2.887 -4.079 -8.339 1.00 45.24 C ATOM 1373 O PRO A 175 -3.316 -2.929 -8.255 1.00 0.20 O ATOM 1374 CB PRO A 175 -4.811 -5.388 -9.277 1.00 72.42 C ATOM 1375 CG PRO A 175 -6.029 -4.680 -8.792 1.00 60.35 C ATOM 1376 CD PRO A 175 -6.079 -4.911 -7.307 1.00 64.24 C ATOM 0 HA PRO A 175 -3.146 -6.132 -8.032 1.00 63.54 H new ATOM 0 HB2 PRO A 175 -4.422 -4.930 -10.186 1.00 72.42 H new ATOM 0 HB3 PRO A 175 -5.026 -6.430 -9.512 1.00 72.42 H new ATOM 0 HG2 PRO A 175 -5.978 -3.615 -9.020 1.00 60.35 H new ATOM 0 HG3 PRO A 175 -6.925 -5.067 -9.278 1.00 60.35 H new ATOM 0 HD2 PRO A 175 -6.511 -4.059 -6.782 1.00 64.24 H new ATOM 0 HD3 PRO A 175 -6.686 -5.781 -7.056 1.00 64.24 H new ATOM 1384 N GLU A 176 -1.617 -4.360 -8.617 1.00 52.20 N ATOM 1385 CA GLU A 176 -0.634 -3.307 -8.843 1.00 11.34 C ATOM 1386 C GLU A 176 -0.550 -2.949 -10.324 1.00 31.02 C ATOM 1387 O GLU A 176 -0.817 -3.782 -11.191 1.00 50.34 O ATOM 1388 CB GLU A 176 0.741 -3.744 -8.334 1.00 31.34 C ATOM 1389 CG GLU A 176 1.667 -2.584 -8.008 1.00 32.40 C ATOM 1390 CD GLU A 176 3.119 -2.894 -8.315 1.00 3.43 C ATOM 1391 OE1 GLU A 176 3.451 -4.088 -8.471 1.00 12.42 O ATOM 1392 OE2 GLU A 176 3.924 -1.943 -8.398 1.00 40.43 O ATOM 0 H GLU A 176 -1.246 -5.307 -8.691 1.00 52.20 H new ATOM 0 HA GLU A 176 -0.954 -2.423 -8.291 1.00 11.34 H new ATOM 0 HB2 GLU A 176 0.611 -4.356 -7.441 1.00 31.34 H new ATOM 0 HB3 GLU A 176 1.214 -4.375 -9.087 1.00 31.34 H new ATOM 0 HG2 GLU A 176 1.358 -1.707 -8.576 1.00 32.40 H new ATOM 0 HG3 GLU A 176 1.569 -2.331 -6.952 1.00 32.40 H new