USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=17 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 118 MET CE :methyl 156:sc= 0 (180deg=0) USER MOD Set 1.2: A 138 THR OG1 : rot -160:sc= 0 USER MOD Set 1.3: A 165 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.84) USER MOD Single : A 96 THR OG1 : rot -28:sc= 0.187 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : 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 122 CYS SG : rot 130:sc= -3.36! USER MOD Single : A 123 ASN : amide:sc= 0.464 K(o=0.46,f=-4.5!) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl 139:sc= -5.46! (180deg=-9.82!) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 76:sc= 1.36 USER MOD Single : A 141 HIS : no HD1:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.3) USER MOD Single : A 147 HIS : no HD1:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 149 CYS SG : rot 70:sc= -3.5! USER MOD Single : A 150 TYR OH : rot -165:sc= -0.601 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 -54:sc= 0.503 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 59:sc= 1.21 USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N THR A 96 11.308 1.849 -9.148 1.00 31.11 N ATOM 146 CA THR A 96 11.381 2.103 -7.714 1.00 42.22 C ATOM 147 C THR A 96 10.144 2.845 -7.223 1.00 14.22 C ATOM 148 O THR A 96 10.239 3.756 -6.400 1.00 41.53 O ATOM 149 CB THR A 96 12.635 2.922 -7.353 1.00 14.14 C ATOM 150 OG1 THR A 96 12.713 4.088 -8.180 1.00 11.35 O ATOM 151 CG2 THR A 96 13.895 2.087 -7.524 1.00 54.20 C ATOM 0 HA THR A 96 11.436 1.132 -7.223 1.00 42.22 H new ATOM 0 HB THR A 96 12.557 3.223 -6.308 1.00 14.14 H new ATOM 0 HG1 THR A 96 12.276 3.910 -9.039 1.00 11.35 H new ATOM 0 HG21 THR A 96 14.767 2.687 -7.263 1.00 54.20 H new ATOM 0 HG22 THR A 96 13.845 1.216 -6.871 1.00 54.20 H new ATOM 0 HG23 THR A 96 13.977 1.760 -8.560 1.00 54.20 H new ATOM 159 N THR A 97 8.981 2.449 -7.732 1.00 1.23 N ATOM 160 CA THR A 97 7.724 3.078 -7.345 1.00 22.54 C ATOM 161 C THR A 97 6.539 2.167 -7.646 1.00 4.01 C ATOM 162 O THR A 97 6.393 1.671 -8.763 1.00 11.35 O ATOM 163 CB THR A 97 7.521 4.422 -8.070 1.00 24.41 C ATOM 164 OG1 THR A 97 8.087 4.360 -9.384 1.00 5.53 O ATOM 165 CG2 THR A 97 8.162 5.559 -7.289 1.00 72.04 C ATOM 0 H THR A 97 8.884 1.696 -8.413 1.00 1.23 H new ATOM 0 HA THR A 97 7.778 3.258 -6.271 1.00 22.54 H new ATOM 0 HB THR A 97 6.450 4.612 -8.145 1.00 24.41 H new ATOM 0 HG1 THR A 97 7.952 5.217 -9.839 1.00 5.53 H new ATOM 0 HG21 THR A 97 8.006 6.498 -7.820 1.00 72.04 H new ATOM 0 HG22 THR A 97 7.709 5.622 -6.300 1.00 72.04 H new ATOM 0 HG23 THR A 97 9.231 5.373 -7.187 1.00 72.04 H new ATOM 173 N SER A 98 5.695 1.953 -6.643 1.00 33.42 N ATOM 174 CA SER A 98 4.523 1.098 -6.799 1.00 51.43 C ATOM 175 C SER A 98 3.248 1.933 -6.875 1.00 51.04 C ATOM 176 O SER A 98 3.177 3.032 -6.323 1.00 32.13 O ATOM 177 CB SER A 98 4.428 0.107 -5.638 1.00 43.50 C ATOM 178 OG SER A 98 5.079 -1.112 -5.953 1.00 14.52 O ATOM 0 H SER A 98 5.800 2.359 -5.713 1.00 33.42 H new ATOM 0 HA SER A 98 4.631 0.544 -7.731 1.00 51.43 H new ATOM 0 HB2 SER A 98 4.878 0.543 -4.746 1.00 43.50 H new ATOM 0 HB3 SER A 98 3.381 -0.086 -5.405 1.00 43.50 H new ATOM 0 HG SER A 98 5.005 -1.728 -5.194 1.00 14.52 H new ATOM 184 N THR A 99 2.241 1.404 -7.564 1.00 45.34 N ATOM 185 CA THR A 99 0.970 2.100 -7.714 1.00 52.22 C ATOM 186 C THR A 99 -0.202 1.127 -7.634 1.00 44.33 C ATOM 187 O THR A 99 -0.038 -0.073 -7.851 1.00 73.43 O ATOM 188 CB THR A 99 0.900 2.861 -9.052 1.00 4.12 C ATOM 189 OG1 THR A 99 2.172 2.815 -9.708 1.00 54.03 O ATOM 190 CG2 THR A 99 0.491 4.310 -8.829 1.00 74.01 C ATOM 0 H THR A 99 2.282 0.496 -8.027 1.00 45.34 H new ATOM 0 HA THR A 99 0.903 2.815 -6.894 1.00 52.22 H new ATOM 0 HB THR A 99 0.150 2.380 -9.680 1.00 4.12 H new ATOM 0 HG1 THR A 99 2.119 3.299 -10.558 1.00 54.03 H new ATOM 0 HG21 THR A 99 0.448 4.828 -9.787 1.00 74.01 H new ATOM 0 HG22 THR A 99 -0.490 4.342 -8.355 1.00 74.01 H new ATOM 0 HG23 THR A 99 1.222 4.799 -8.185 1.00 74.01 H new ATOM 198 N TRP A 100 -1.381 1.653 -7.323 1.00 51.24 N ATOM 199 CA TRP A 100 -2.580 0.830 -7.216 1.00 70.03 C ATOM 200 C TRP A 100 -3.829 1.642 -7.542 1.00 3.13 C ATOM 201 O TRP A 100 -3.827 2.869 -7.438 1.00 21.34 O ATOM 202 CB TRP A 100 -2.693 0.238 -5.810 1.00 71.34 C ATOM 203 CG TRP A 100 -1.548 -0.661 -5.450 1.00 74.04 C ATOM 204 CD1 TRP A 100 -1.387 -1.967 -5.815 1.00 34.23 C ATOM 205 CD2 TRP A 100 -0.408 -0.320 -4.655 1.00 15.12 C ATOM 206 NE1 TRP A 100 -0.214 -2.459 -5.293 1.00 34.52 N ATOM 207 CE2 TRP A 100 0.404 -1.468 -4.578 1.00 70.21 C ATOM 208 CE3 TRP A 100 0.006 0.843 -4.001 1.00 30.02 C ATOM 209 CZ2 TRP A 100 1.604 -1.484 -3.873 1.00 63.42 C ATOM 210 CZ3 TRP A 100 1.197 0.826 -3.301 1.00 64.13 C ATOM 211 CH2 TRP A 100 1.986 -0.331 -3.242 1.00 32.10 C ATOM 0 H TRP A 100 -1.532 2.645 -7.141 1.00 51.24 H new ATOM 0 HA TRP A 100 -2.499 0.018 -7.939 1.00 70.03 H new ATOM 0 HB2 TRP A 100 -2.750 1.050 -5.085 1.00 71.34 H new ATOM 0 HB3 TRP A 100 -3.624 -0.323 -5.734 1.00 71.34 H new ATOM 0 HD1 TRP A 100 -2.079 -2.530 -6.424 1.00 34.23 H new ATOM 0 HE1 TRP A 100 0.139 -3.408 -5.418 1.00 34.52 H new ATOM 0 HE3 TRP A 100 -0.594 1.740 -4.042 1.00 30.02 H new ATOM 0 HZ2 TRP A 100 2.212 -2.375 -3.826 1.00 63.42 H new ATOM 0 HZ3 TRP A 100 1.526 1.719 -2.791 1.00 64.13 H new ATOM 0 HH2 TRP A 100 2.913 -0.312 -2.688 1.00 32.10 H new ATOM 222 N VAL A 101 -4.893 0.950 -7.934 1.00 55.21 N ATOM 223 CA VAL A 101 -6.149 1.608 -8.273 1.00 15.40 C ATOM 224 C VAL A 101 -7.338 0.869 -7.667 1.00 13.30 C ATOM 225 O VAL A 101 -7.622 -0.274 -8.026 1.00 4.43 O ATOM 226 CB VAL A 101 -6.342 1.701 -9.799 1.00 43.21 C ATOM 227 CG1 VAL A 101 -7.547 2.566 -10.135 1.00 24.25 C ATOM 228 CG2 VAL A 101 -5.084 2.244 -10.462 1.00 21.14 C ATOM 0 H VAL A 101 -4.911 -0.066 -8.025 1.00 55.21 H new ATOM 0 HA VAL A 101 -6.099 2.615 -7.858 1.00 15.40 H new ATOM 0 HB VAL A 101 -6.527 0.699 -10.186 1.00 43.21 H new ATOM 0 HG11 VAL A 101 -7.666 2.619 -11.217 1.00 24.25 H new ATOM 0 HG12 VAL A 101 -8.443 2.130 -9.692 1.00 24.25 H new ATOM 0 HG13 VAL A 101 -7.397 3.569 -9.737 1.00 24.25 H new ATOM 0 HG21 VAL A 101 -5.237 2.303 -11.540 1.00 21.14 H new ATOM 0 HG22 VAL A 101 -4.867 3.238 -10.071 1.00 21.14 H new ATOM 0 HG23 VAL A 101 -4.246 1.580 -10.251 1.00 21.14 H new ATOM 238 N LEU A 102 -8.030 1.531 -6.746 1.00 13.14 N ATOM 239 CA LEU A 102 -9.190 0.938 -6.089 1.00 32.25 C ATOM 240 C LEU A 102 -10.276 1.982 -5.853 1.00 5.24 C ATOM 241 O LEU A 102 -9.983 3.159 -5.639 1.00 71.12 O ATOM 242 CB LEU A 102 -8.779 0.303 -4.759 1.00 24.10 C ATOM 243 CG LEU A 102 -8.415 1.275 -3.636 1.00 50.32 C ATOM 244 CD1 LEU A 102 -9.046 0.835 -2.324 1.00 12.13 C ATOM 245 CD2 LEU A 102 -6.904 1.384 -3.493 1.00 45.21 C ATOM 0 H LEU A 102 -7.808 2.478 -6.437 1.00 13.14 H new ATOM 0 HA LEU A 102 -9.592 0.165 -6.745 1.00 32.25 H new ATOM 0 HB2 LEU A 102 -9.596 -0.330 -4.414 1.00 24.10 H new ATOM 0 HB3 LEU A 102 -7.924 -0.349 -4.939 1.00 24.10 H new ATOM 0 HG LEU A 102 -8.807 2.259 -3.892 1.00 50.32 H new ATOM 0 HD11 LEU A 102 -8.776 1.539 -1.536 1.00 12.13 H new ATOM 0 HD12 LEU A 102 -10.130 0.810 -2.432 1.00 12.13 H new ATOM 0 HD13 LEU A 102 -8.684 -0.159 -2.062 1.00 12.13 H new ATOM 0 HD21 LEU A 102 -6.664 2.080 -2.689 1.00 45.21 H new ATOM 0 HD22 LEU A 102 -6.489 0.403 -3.260 1.00 45.21 H new ATOM 0 HD23 LEU A 102 -6.475 1.747 -4.427 1.00 45.21 H new ATOM 257 N ARG A 103 -11.530 1.544 -5.889 1.00 50.44 N ATOM 258 CA ARG A 103 -12.659 2.441 -5.678 1.00 61.10 C ATOM 259 C ARG A 103 -12.760 2.853 -4.212 1.00 22.42 C ATOM 260 O ARG A 103 -13.433 2.195 -3.417 1.00 63.23 O ATOM 261 CB ARG A 103 -13.961 1.771 -6.122 1.00 64.22 C ATOM 262 CG ARG A 103 -14.237 1.902 -7.611 1.00 2.13 C ATOM 263 CD ARG A 103 -15.439 2.793 -7.878 1.00 52.51 C ATOM 264 NE ARG A 103 -16.675 2.024 -7.997 1.00 34.23 N ATOM 265 CZ ARG A 103 -17.859 2.569 -8.258 1.00 24.32 C ATOM 266 NH1 ARG A 103 -17.965 3.880 -8.429 1.00 21.24 N ATOM 267 NH2 ARG A 103 -18.938 1.802 -8.351 1.00 44.41 N ATOM 0 H ARG A 103 -11.790 0.573 -6.062 1.00 50.44 H new ATOM 0 HA ARG A 103 -12.496 3.336 -6.278 1.00 61.10 H new ATOM 0 HB2 ARG A 103 -13.923 0.714 -5.860 1.00 64.22 H new ATOM 0 HB3 ARG A 103 -14.792 2.207 -5.567 1.00 64.22 H new ATOM 0 HG2 ARG A 103 -13.360 2.314 -8.110 1.00 2.13 H new ATOM 0 HG3 ARG A 103 -14.413 0.915 -8.038 1.00 2.13 H new ATOM 0 HD2 ARG A 103 -15.539 3.518 -7.070 1.00 52.51 H new ATOM 0 HD3 ARG A 103 -15.274 3.359 -8.795 1.00 52.51 H new ATOM 0 HE ARG A 103 -16.627 1.013 -7.873 1.00 34.23 H new ATOM 0 HH11 ARG A 103 -17.137 4.472 -8.360 1.00 21.24 H new ATOM 0 HH12 ARG A 103 -18.874 4.296 -8.629 1.00 21.24 H new ATOM 0 HH21 ARG A 103 -18.859 0.793 -8.222 1.00 44.41 H new ATOM 0 HH22 ARG A 103 -19.846 2.221 -8.551 1.00 44.41 H new ATOM 281 N LEU A 104 -12.089 3.944 -3.862 1.00 24.43 N ATOM 282 CA LEU A 104 -12.102 4.442 -2.491 1.00 1.24 C ATOM 283 C LEU A 104 -12.733 5.829 -2.423 1.00 15.12 C ATOM 284 O LEU A 104 -12.637 6.613 -3.367 1.00 10.34 O ATOM 285 CB LEU A 104 -10.679 4.489 -1.930 1.00 71.23 C ATOM 286 CG LEU A 104 -10.524 4.099 -0.460 1.00 45.13 C ATOM 287 CD1 LEU A 104 -9.289 3.232 -0.265 1.00 11.21 C ATOM 288 CD2 LEU A 104 -10.449 5.341 0.416 1.00 12.32 C ATOM 0 H LEU A 104 -11.529 4.501 -4.508 1.00 24.43 H new ATOM 0 HA LEU A 104 -12.701 3.759 -1.888 1.00 1.24 H new ATOM 0 HB2 LEU A 104 -10.052 3.828 -2.529 1.00 71.23 H new ATOM 0 HB3 LEU A 104 -10.292 5.500 -2.060 1.00 71.23 H new ATOM 0 HG LEU A 104 -11.399 3.521 -0.163 1.00 45.13 H new ATOM 0 HD11 LEU A 104 -9.195 2.964 0.787 1.00 11.21 H new ATOM 0 HD12 LEU A 104 -9.383 2.326 -0.863 1.00 11.21 H new ATOM 0 HD13 LEU A 104 -8.403 3.784 -0.579 1.00 11.21 H new ATOM 0 HD21 LEU A 104 -10.339 5.044 1.459 1.00 12.32 H new ATOM 0 HD22 LEU A 104 -9.592 5.945 0.118 1.00 12.32 H new ATOM 0 HD23 LEU A 104 -11.362 5.924 0.299 1.00 12.32 H new ATOM 300 N ASP A 105 -13.377 6.126 -1.299 1.00 4.13 N ATOM 301 CA ASP A 105 -14.022 7.419 -1.106 1.00 25.11 C ATOM 302 C ASP A 105 -15.175 7.603 -2.087 1.00 41.44 C ATOM 303 O ASP A 105 -15.670 8.714 -2.276 1.00 34.21 O ATOM 304 CB ASP A 105 -13.005 8.550 -1.275 1.00 10.31 C ATOM 305 CG ASP A 105 -13.243 9.692 -0.307 1.00 61.43 C ATOM 306 OD1 ASP A 105 -14.348 10.273 -0.335 1.00 11.35 O ATOM 307 OD2 ASP A 105 -12.324 10.004 0.478 1.00 11.22 O ATOM 0 H ASP A 105 -13.466 5.488 -0.508 1.00 4.13 H new ATOM 0 HA ASP A 105 -14.423 7.450 -0.093 1.00 25.11 H new ATOM 0 HB2 ASP A 105 -12.000 8.156 -1.127 1.00 10.31 H new ATOM 0 HB3 ASP A 105 -13.052 8.928 -2.296 1.00 10.31 H new ATOM 312 N GLY A 106 -15.596 6.507 -2.710 1.00 43.30 N ATOM 313 CA GLY A 106 -16.687 6.571 -3.665 1.00 63.42 C ATOM 314 C GLY A 106 -16.206 6.839 -5.078 1.00 43.20 C ATOM 315 O GLY A 106 -17.009 6.948 -6.003 1.00 50.30 O ATOM 0 H GLY A 106 -15.202 5.577 -2.571 1.00 43.30 H new ATOM 0 HA2 GLY A 106 -17.239 5.631 -3.645 1.00 63.42 H new ATOM 0 HA3 GLY A 106 -17.382 7.356 -3.366 1.00 63.42 H new ATOM 319 N GLU A 107 -14.892 6.948 -5.243 1.00 4.32 N ATOM 320 CA GLU A 107 -14.306 7.209 -6.553 1.00 10.40 C ATOM 321 C GLU A 107 -13.037 6.387 -6.755 1.00 24.20 C ATOM 322 O GLU A 107 -12.518 5.786 -5.815 1.00 25.14 O ATOM 323 CB GLU A 107 -13.991 8.698 -6.709 1.00 15.34 C ATOM 324 CG GLU A 107 -14.997 9.446 -7.567 1.00 1.30 C ATOM 325 CD GLU A 107 -14.356 10.546 -8.392 1.00 13.24 C ATOM 326 OE1 GLU A 107 -13.392 11.170 -7.903 1.00 63.21 O ATOM 327 OE2 GLU A 107 -14.821 10.782 -9.527 1.00 30.12 O ATOM 0 H GLU A 107 -14.213 6.860 -4.487 1.00 4.32 H new ATOM 0 HA GLU A 107 -15.033 6.917 -7.311 1.00 10.40 H new ATOM 0 HB2 GLU A 107 -13.955 9.158 -5.722 1.00 15.34 H new ATOM 0 HB3 GLU A 107 -12.999 8.807 -7.148 1.00 15.34 H new ATOM 0 HG2 GLU A 107 -15.496 8.742 -8.232 1.00 1.30 H new ATOM 0 HG3 GLU A 107 -15.765 9.878 -6.926 1.00 1.30 H new ATOM 334 N ASP A 108 -12.543 6.364 -7.988 1.00 51.32 N ATOM 335 CA ASP A 108 -11.335 5.616 -8.315 1.00 53.44 C ATOM 336 C ASP A 108 -10.116 6.229 -7.634 1.00 2.01 C ATOM 337 O ASP A 108 -9.443 7.092 -8.201 1.00 10.10 O ATOM 338 CB ASP A 108 -11.125 5.581 -9.830 1.00 33.33 C ATOM 339 CG ASP A 108 -11.922 4.479 -10.499 1.00 30.32 C ATOM 340 OD1 ASP A 108 -13.169 4.542 -10.463 1.00 2.41 O ATOM 341 OD2 ASP A 108 -11.299 3.552 -11.058 1.00 74.12 O ATOM 0 H ASP A 108 -12.961 6.855 -8.778 1.00 51.32 H new ATOM 0 HA ASP A 108 -11.459 4.596 -7.950 1.00 53.44 H new ATOM 0 HB2 ASP A 108 -11.411 6.543 -10.256 1.00 33.33 H new ATOM 0 HB3 ASP A 108 -10.065 5.440 -10.044 1.00 33.33 H new ATOM 346 N LEU A 109 -9.836 5.779 -6.416 1.00 74.21 N ATOM 347 CA LEU A 109 -8.698 6.285 -5.656 1.00 22.40 C ATOM 348 C LEU A 109 -7.401 5.630 -6.120 1.00 45.04 C ATOM 349 O LEU A 109 -7.316 4.407 -6.233 1.00 23.32 O ATOM 350 CB LEU A 109 -8.904 6.031 -4.162 1.00 62.50 C ATOM 351 CG LEU A 109 -8.081 6.904 -3.214 1.00 22.53 C ATOM 352 CD1 LEU A 109 -8.983 7.862 -2.452 1.00 0.43 C ATOM 353 CD2 LEU A 109 -7.283 6.038 -2.249 1.00 31.30 C ATOM 0 H LEU A 109 -10.381 5.065 -5.933 1.00 74.21 H new ATOM 0 HA LEU A 109 -8.625 7.359 -5.829 1.00 22.40 H new ATOM 0 HB2 LEU A 109 -9.960 6.174 -3.932 1.00 62.50 H new ATOM 0 HB3 LEU A 109 -8.672 4.986 -3.956 1.00 62.50 H new ATOM 0 HG LEU A 109 -7.381 7.492 -3.808 1.00 22.53 H new ATOM 0 HD11 LEU A 109 -8.380 8.475 -1.782 1.00 0.43 H new ATOM 0 HD12 LEU A 109 -9.509 8.505 -3.157 1.00 0.43 H new ATOM 0 HD13 LEU A 109 -9.708 7.294 -1.869 1.00 0.43 H new ATOM 0 HD21 LEU A 109 -6.703 6.676 -1.582 1.00 31.30 H new ATOM 0 HD22 LEU A 109 -7.966 5.424 -1.662 1.00 31.30 H new ATOM 0 HD23 LEU A 109 -6.608 5.393 -2.812 1.00 31.30 H new ATOM 365 N ARG A 110 -6.391 6.453 -6.386 1.00 22.32 N ATOM 366 CA ARG A 110 -5.097 5.954 -6.836 1.00 55.14 C ATOM 367 C ARG A 110 -4.062 6.038 -5.718 1.00 33.22 C ATOM 368 O ARG A 110 -3.796 7.114 -5.183 1.00 14.22 O ATOM 369 CB ARG A 110 -4.615 6.748 -8.052 1.00 42.54 C ATOM 370 CG ARG A 110 -3.472 6.083 -8.801 1.00 1.00 C ATOM 371 CD ARG A 110 -3.664 6.175 -10.306 1.00 62.03 C ATOM 372 NE ARG A 110 -3.449 7.531 -10.804 1.00 65.13 N ATOM 373 CZ ARG A 110 -2.248 8.084 -10.934 1.00 63.11 C ATOM 374 NH1 ARG A 110 -1.160 7.400 -10.604 1.00 55.32 N ATOM 375 NH2 ARG A 110 -2.132 9.323 -11.394 1.00 55.14 N ATOM 0 H ARG A 110 -6.444 7.468 -6.298 1.00 22.32 H new ATOM 0 HA ARG A 110 -5.218 4.908 -7.118 1.00 55.14 H new ATOM 0 HB2 ARG A 110 -5.451 6.891 -8.736 1.00 42.54 H new ATOM 0 HB3 ARG A 110 -4.297 7.738 -7.726 1.00 42.54 H new ATOM 0 HG2 ARG A 110 -2.530 6.556 -8.524 1.00 1.00 H new ATOM 0 HG3 ARG A 110 -3.402 5.036 -8.505 1.00 1.00 H new ATOM 0 HD2 ARG A 110 -2.973 5.493 -10.802 1.00 62.03 H new ATOM 0 HD3 ARG A 110 -4.672 5.850 -10.563 1.00 62.03 H new ATOM 0 HE ARG A 110 -4.265 8.084 -11.066 1.00 65.13 H new ATOM 0 HH11 ARG A 110 -1.244 6.447 -10.250 1.00 55.32 H new ATOM 0 HH12 ARG A 110 -0.239 7.827 -10.705 1.00 55.32 H new ATOM 0 HH21 ARG A 110 -2.966 9.853 -11.649 1.00 55.14 H new ATOM 0 HH22 ARG A 110 -1.209 9.746 -11.493 1.00 55.14 H new ATOM 389 N VAL A 111 -3.482 4.893 -5.369 1.00 42.40 N ATOM 390 CA VAL A 111 -2.476 4.837 -4.315 1.00 62.43 C ATOM 391 C VAL A 111 -1.082 4.630 -4.896 1.00 62.10 C ATOM 392 O VAL A 111 -0.911 3.932 -5.897 1.00 54.51 O ATOM 393 CB VAL A 111 -2.777 3.706 -3.313 1.00 4.30 C ATOM 394 CG1 VAL A 111 -2.540 4.180 -1.888 1.00 33.53 C ATOM 395 CG2 VAL A 111 -4.202 3.204 -3.489 1.00 1.25 C ATOM 0 H VAL A 111 -3.692 3.993 -5.801 1.00 42.40 H new ATOM 0 HA VAL A 111 -2.510 5.793 -3.793 1.00 62.43 H new ATOM 0 HB VAL A 111 -2.098 2.876 -3.511 1.00 4.30 H new ATOM 0 HG11 VAL A 111 -2.758 3.368 -1.194 1.00 33.53 H new ATOM 0 HG12 VAL A 111 -1.500 4.486 -1.774 1.00 33.53 H new ATOM 0 HG13 VAL A 111 -3.192 5.026 -1.673 1.00 33.53 H new ATOM 0 HG21 VAL A 111 -4.397 2.405 -2.773 1.00 1.25 H new ATOM 0 HG22 VAL A 111 -4.900 4.023 -3.318 1.00 1.25 H new ATOM 0 HG23 VAL A 111 -4.331 2.823 -4.502 1.00 1.25 H new ATOM 405 N VAL A 112 -0.086 5.239 -4.262 1.00 11.22 N ATOM 406 CA VAL A 112 1.295 5.121 -4.714 1.00 43.03 C ATOM 407 C VAL A 112 2.239 4.880 -3.542 1.00 24.44 C ATOM 408 O VAL A 112 2.036 5.409 -2.448 1.00 20.33 O ATOM 409 CB VAL A 112 1.748 6.383 -5.472 1.00 22.10 C ATOM 410 CG1 VAL A 112 3.198 6.250 -5.912 1.00 73.22 C ATOM 411 CG2 VAL A 112 0.842 6.640 -6.667 1.00 33.54 C ATOM 0 H VAL A 112 -0.210 5.820 -3.433 1.00 11.22 H new ATOM 0 HA VAL A 112 1.334 4.267 -5.390 1.00 43.03 H new ATOM 0 HB VAL A 112 1.674 7.237 -4.798 1.00 22.10 H new ATOM 0 HG11 VAL A 112 3.500 7.151 -6.446 1.00 73.22 H new ATOM 0 HG12 VAL A 112 3.833 6.117 -5.036 1.00 73.22 H new ATOM 0 HG13 VAL A 112 3.301 5.387 -6.570 1.00 73.22 H new ATOM 0 HG21 VAL A 112 1.176 7.535 -7.191 1.00 33.54 H new ATOM 0 HG22 VAL A 112 0.882 5.787 -7.344 1.00 33.54 H new ATOM 0 HG23 VAL A 112 -0.182 6.782 -6.323 1.00 33.54 H new ATOM 421 N LEU A 113 3.272 4.079 -3.775 1.00 62.44 N ATOM 422 CA LEU A 113 4.250 3.767 -2.739 1.00 3.41 C ATOM 423 C LEU A 113 5.671 4.010 -3.238 1.00 73.21 C ATOM 424 O LEU A 113 6.220 3.206 -3.990 1.00 74.13 O ATOM 425 CB LEU A 113 4.098 2.314 -2.286 1.00 60.25 C ATOM 426 CG LEU A 113 5.199 1.776 -1.372 1.00 4.41 C ATOM 427 CD1 LEU A 113 5.630 2.839 -0.374 1.00 13.01 C ATOM 428 CD2 LEU A 113 4.728 0.523 -0.649 1.00 62.02 C ATOM 0 H LEU A 113 3.454 3.633 -4.674 1.00 62.44 H new ATOM 0 HA LEU A 113 4.065 4.427 -1.891 1.00 3.41 H new ATOM 0 HB2 LEU A 113 3.144 2.214 -1.769 1.00 60.25 H new ATOM 0 HB3 LEU A 113 4.048 1.682 -3.172 1.00 60.25 H new ATOM 0 HG LEU A 113 6.060 1.514 -1.987 1.00 4.41 H new ATOM 0 HD11 LEU A 113 6.414 2.438 0.268 1.00 13.01 H new ATOM 0 HD12 LEU A 113 6.009 3.709 -0.910 1.00 13.01 H new ATOM 0 HD13 LEU A 113 4.776 3.133 0.236 1.00 13.01 H new ATOM 0 HD21 LEU A 113 5.525 0.154 -0.003 1.00 62.02 H new ATOM 0 HD22 LEU A 113 3.852 0.759 -0.045 1.00 62.02 H new ATOM 0 HD23 LEU A 113 4.470 -0.243 -1.380 1.00 62.02 H new ATOM 440 N GLU A 114 6.259 5.123 -2.814 1.00 2.32 N ATOM 441 CA GLU A 114 7.617 5.471 -3.218 1.00 35.04 C ATOM 442 C GLU A 114 8.639 4.601 -2.493 1.00 2.15 C ATOM 443 O GLU A 114 8.572 4.426 -1.276 1.00 31.43 O ATOM 444 CB GLU A 114 7.895 6.948 -2.933 1.00 43.24 C ATOM 445 CG GLU A 114 8.499 7.691 -4.113 1.00 0.11 C ATOM 446 CD GLU A 114 8.014 9.124 -4.210 1.00 41.43 C ATOM 447 OE1 GLU A 114 6.861 9.331 -4.644 1.00 14.40 O ATOM 448 OE2 GLU A 114 8.785 10.038 -3.853 1.00 44.33 O ATOM 0 H GLU A 114 5.817 5.799 -2.191 1.00 2.32 H new ATOM 0 HA GLU A 114 7.707 5.292 -4.289 1.00 35.04 H new ATOM 0 HB2 GLU A 114 6.964 7.436 -2.645 1.00 43.24 H new ATOM 0 HB3 GLU A 114 8.571 7.024 -2.081 1.00 43.24 H new ATOM 0 HG2 GLU A 114 9.585 7.684 -4.024 1.00 0.11 H new ATOM 0 HG3 GLU A 114 8.251 7.164 -5.035 1.00 0.11 H new ATOM 455 N LYS A 115 9.588 4.057 -3.248 1.00 72.12 N ATOM 456 CA LYS A 115 10.626 3.206 -2.680 1.00 32.12 C ATOM 457 C LYS A 115 11.645 4.035 -1.905 1.00 33.22 C ATOM 458 O LYS A 115 12.411 3.501 -1.101 1.00 73.02 O ATOM 459 CB LYS A 115 11.330 2.418 -3.787 1.00 22.35 C ATOM 460 CG LYS A 115 10.522 1.239 -4.303 1.00 30.04 C ATOM 461 CD LYS A 115 10.950 -0.061 -3.642 1.00 44.14 C ATOM 462 CE LYS A 115 12.347 -0.474 -4.079 1.00 31.42 C ATOM 463 NZ LYS A 115 12.606 -1.917 -3.816 1.00 2.03 N ATOM 0 H LYS A 115 9.659 4.191 -4.257 1.00 72.12 H new ATOM 0 HA LYS A 115 10.152 2.508 -1.990 1.00 32.12 H new ATOM 0 HB2 LYS A 115 11.548 3.090 -4.617 1.00 22.35 H new ATOM 0 HB3 LYS A 115 12.287 2.055 -3.411 1.00 22.35 H new ATOM 0 HG2 LYS A 115 9.462 1.412 -4.115 1.00 30.04 H new ATOM 0 HG3 LYS A 115 10.645 1.157 -5.383 1.00 30.04 H new ATOM 0 HD2 LYS A 115 10.926 0.055 -2.558 1.00 44.14 H new ATOM 0 HD3 LYS A 115 10.241 -0.849 -3.894 1.00 44.14 H new ATOM 0 HE2 LYS A 115 12.470 -0.271 -5.143 1.00 31.42 H new ATOM 0 HE3 LYS A 115 13.086 0.130 -3.552 1.00 31.42 H new ATOM 0 HZ1 LYS A 115 13.568 -2.159 -4.128 1.00 2.03 H new ATOM 0 HZ2 LYS A 115 12.514 -2.106 -2.798 1.00 2.03 H new ATOM 0 HZ3 LYS A 115 11.917 -2.494 -4.339 1.00 2.03 H new ATOM 477 N ASP A 116 11.647 5.340 -2.149 1.00 44.23 N ATOM 478 CA ASP A 116 12.571 6.244 -1.471 1.00 74.41 C ATOM 479 C ASP A 116 12.513 6.047 0.040 1.00 21.34 C ATOM 480 O ASP A 116 13.530 5.784 0.683 1.00 12.10 O ATOM 481 CB ASP A 116 12.246 7.696 -1.822 1.00 21.12 C ATOM 482 CG ASP A 116 13.370 8.646 -1.455 1.00 31.41 C ATOM 483 OD1 ASP A 116 14.449 8.160 -1.055 1.00 61.14 O ATOM 484 OD2 ASP A 116 13.171 9.873 -1.566 1.00 13.53 O ATOM 0 H ASP A 116 11.020 5.797 -2.811 1.00 44.23 H new ATOM 0 HA ASP A 116 13.581 6.014 -1.810 1.00 74.41 H new ATOM 0 HB2 ASP A 116 12.044 7.772 -2.890 1.00 21.12 H new ATOM 0 HB3 ASP A 116 11.336 7.997 -1.303 1.00 21.12 H new ATOM 489 N THR A 117 11.315 6.175 0.603 1.00 11.33 N ATOM 490 CA THR A 117 11.125 6.014 2.039 1.00 75.32 C ATOM 491 C THR A 117 9.896 5.161 2.338 1.00 42.43 C ATOM 492 O THR A 117 9.387 5.162 3.458 1.00 64.30 O ATOM 493 CB THR A 117 10.972 7.376 2.742 1.00 44.13 C ATOM 494 OG1 THR A 117 11.067 8.435 1.783 1.00 10.53 O ATOM 495 CG2 THR A 117 12.041 7.556 3.810 1.00 34.32 C ATOM 0 H THR A 117 10.462 6.390 0.086 1.00 11.33 H new ATOM 0 HA THR A 117 12.015 5.514 2.421 1.00 75.32 H new ATOM 0 HB THR A 117 9.993 7.406 3.220 1.00 44.13 H new ATOM 0 HG1 THR A 117 10.967 9.298 2.237 1.00 10.53 H new ATOM 0 HG21 THR A 117 11.913 8.525 4.293 1.00 34.32 H new ATOM 0 HG22 THR A 117 11.949 6.765 4.554 1.00 34.32 H new ATOM 0 HG23 THR A 117 13.028 7.508 3.349 1.00 34.32 H new ATOM 503 N MET A 118 9.427 4.434 1.329 1.00 52.23 N ATOM 504 CA MET A 118 8.259 3.575 1.485 1.00 32.34 C ATOM 505 C MET A 118 7.034 4.391 1.889 1.00 72.41 C ATOM 506 O MET A 118 6.141 3.889 2.572 1.00 3.43 O ATOM 507 CB MET A 118 8.532 2.492 2.532 1.00 40.42 C ATOM 508 CG MET A 118 7.664 1.256 2.367 1.00 35.22 C ATOM 509 SD MET A 118 7.858 0.086 3.725 1.00 11.34 S ATOM 510 CE MET A 118 8.896 -1.155 2.958 1.00 24.15 C ATOM 0 H MET A 118 9.838 4.423 0.395 1.00 52.23 H new ATOM 0 HA MET A 118 8.057 3.100 0.525 1.00 32.34 H new ATOM 0 HB2 MET A 118 9.581 2.200 2.476 1.00 40.42 H new ATOM 0 HB3 MET A 118 8.370 2.910 3.526 1.00 40.42 H new ATOM 0 HG2 MET A 118 6.619 1.557 2.298 1.00 35.22 H new ATOM 0 HG3 MET A 118 7.916 0.762 1.428 1.00 35.22 H new ATOM 0 HE1 MET A 118 9.445 -1.697 3.728 1.00 24.15 H new ATOM 0 HE2 MET A 118 8.275 -1.853 2.397 1.00 24.15 H new ATOM 0 HE3 MET A 118 9.601 -0.672 2.281 1.00 24.15 H new ATOM 520 N ASP A 119 6.999 5.647 1.461 1.00 54.53 N ATOM 521 CA ASP A 119 5.883 6.532 1.778 1.00 63.35 C ATOM 522 C ASP A 119 4.674 6.213 0.904 1.00 34.10 C ATOM 523 O ASP A 119 4.816 5.838 -0.260 1.00 41.53 O ATOM 524 CB ASP A 119 6.293 7.993 1.588 1.00 30.24 C ATOM 525 CG ASP A 119 5.587 8.922 2.557 1.00 73.15 C ATOM 526 OD1 ASP A 119 4.380 9.177 2.360 1.00 44.11 O ATOM 527 OD2 ASP A 119 6.241 9.394 3.510 1.00 14.45 O ATOM 0 H ASP A 119 7.730 6.076 0.894 1.00 54.53 H new ATOM 0 HA ASP A 119 5.609 6.373 2.821 1.00 63.35 H new ATOM 0 HB2 ASP A 119 7.371 8.085 1.720 1.00 30.24 H new ATOM 0 HB3 ASP A 119 6.070 8.300 0.566 1.00 30.24 H new ATOM 532 N VAL A 120 3.483 6.363 1.474 1.00 14.13 N ATOM 533 CA VAL A 120 2.247 6.092 0.748 1.00 41.30 C ATOM 534 C VAL A 120 1.552 7.387 0.345 1.00 70.54 C ATOM 535 O VAL A 120 1.501 8.344 1.118 1.00 35.31 O ATOM 536 CB VAL A 120 1.277 5.241 1.590 1.00 53.43 C ATOM 537 CG1 VAL A 120 0.058 4.853 0.767 1.00 31.32 C ATOM 538 CG2 VAL A 120 1.982 4.007 2.130 1.00 61.43 C ATOM 0 H VAL A 120 3.347 6.671 2.437 1.00 14.13 H new ATOM 0 HA VAL A 120 2.521 5.536 -0.149 1.00 41.30 H new ATOM 0 HB VAL A 120 0.939 5.837 2.438 1.00 53.43 H new ATOM 0 HG11 VAL A 120 -0.617 4.252 1.377 1.00 31.32 H new ATOM 0 HG12 VAL A 120 -0.458 5.754 0.435 1.00 31.32 H new ATOM 0 HG13 VAL A 120 0.374 4.275 -0.101 1.00 31.32 H new ATOM 0 HG21 VAL A 120 1.282 3.418 2.722 1.00 61.43 H new ATOM 0 HG22 VAL A 120 2.350 3.405 1.299 1.00 61.43 H new ATOM 0 HG23 VAL A 120 2.820 4.312 2.757 1.00 61.43 H new ATOM 548 N TRP A 121 1.017 7.411 -0.872 1.00 31.34 N ATOM 549 CA TRP A 121 0.324 8.589 -1.378 1.00 74.15 C ATOM 550 C TRP A 121 -1.085 8.234 -1.841 1.00 35.13 C ATOM 551 O TRP A 121 -1.269 7.354 -2.683 1.00 33.33 O ATOM 552 CB TRP A 121 1.110 9.212 -2.532 1.00 32.20 C ATOM 553 CG TRP A 121 1.120 10.711 -2.503 1.00 22.41 C ATOM 554 CD1 TRP A 121 0.371 11.550 -3.277 1.00 52.21 C ATOM 555 CD2 TRP A 121 1.920 11.546 -1.659 1.00 32.44 C ATOM 556 NE1 TRP A 121 0.657 12.858 -2.965 1.00 30.22 N ATOM 557 CE2 TRP A 121 1.603 12.882 -1.974 1.00 31.11 C ATOM 558 CE3 TRP A 121 2.870 11.296 -0.666 1.00 24.13 C ATOM 559 CZ2 TRP A 121 2.205 13.961 -1.332 1.00 21.11 C ATOM 560 CZ3 TRP A 121 3.466 12.368 -0.029 1.00 64.53 C ATOM 561 CH2 TRP A 121 3.132 13.686 -0.364 1.00 33.12 C ATOM 0 H TRP A 121 1.051 6.628 -1.525 1.00 31.34 H new ATOM 0 HA TRP A 121 0.249 9.312 -0.566 1.00 74.15 H new ATOM 0 HB2 TRP A 121 2.137 8.848 -2.501 1.00 32.20 H new ATOM 0 HB3 TRP A 121 0.682 8.877 -3.477 1.00 32.20 H new ATOM 0 HD1 TRP A 121 -0.341 11.233 -4.024 1.00 52.21 H new ATOM 0 HE1 TRP A 121 0.234 13.678 -3.400 1.00 30.22 H new ATOM 0 HE3 TRP A 121 3.134 10.283 -0.401 1.00 24.13 H new ATOM 0 HZ2 TRP A 121 1.949 14.978 -1.589 1.00 21.11 H new ATOM 0 HZ3 TRP A 121 4.202 12.186 0.740 1.00 64.53 H new ATOM 0 HH2 TRP A 121 3.616 14.502 0.152 1.00 33.12 H new ATOM 572 N CYS A 122 -2.077 8.923 -1.286 1.00 32.51 N ATOM 573 CA CYS A 122 -3.470 8.679 -1.642 1.00 1.42 C ATOM 574 C CYS A 122 -4.070 9.890 -2.350 1.00 33.22 C ATOM 575 O CYS A 122 -4.292 10.933 -1.737 1.00 62.10 O ATOM 576 CB CYS A 122 -4.287 8.347 -0.392 1.00 60.31 C ATOM 577 SG CYS A 122 -4.638 6.586 -0.187 1.00 33.40 S ATOM 0 H CYS A 122 -1.942 9.655 -0.588 1.00 32.51 H new ATOM 0 HA CYS A 122 -3.502 7.829 -2.324 1.00 1.42 H new ATOM 0 HB2 CYS A 122 -3.749 8.704 0.486 1.00 60.31 H new ATOM 0 HB3 CYS A 122 -5.230 8.892 -0.432 1.00 60.31 H new ATOM 0 HG CYS A 122 -4.327 6.219 1.021 1.00 33.40 H new ATOM 583 N ASN A 123 -4.330 9.743 -3.645 1.00 30.25 N ATOM 584 CA ASN A 123 -4.903 10.825 -4.438 1.00 21.43 C ATOM 585 C ASN A 123 -4.155 12.132 -4.193 1.00 32.01 C ATOM 586 O ASN A 123 -4.702 13.075 -3.623 1.00 53.30 O ATOM 587 CB ASN A 123 -6.384 11.001 -4.102 1.00 55.22 C ATOM 588 CG ASN A 123 -7.283 10.153 -4.982 1.00 4.22 C ATOM 589 OD1 ASN A 123 -6.806 9.317 -5.749 1.00 55.14 O ATOM 590 ND2 ASN A 123 -8.589 10.367 -4.875 1.00 20.24 N ATOM 0 H ASN A 123 -4.153 8.885 -4.168 1.00 30.25 H new ATOM 0 HA ASN A 123 -4.805 10.563 -5.491 1.00 21.43 H new ATOM 0 HB2 ASN A 123 -6.550 10.738 -3.057 1.00 55.22 H new ATOM 0 HB3 ASN A 123 -6.657 12.050 -4.214 1.00 55.22 H new ATOM 0 HD21 ASN A 123 -9.242 9.827 -5.443 1.00 20.24 H new ATOM 0 HD22 ASN A 123 -8.939 11.071 -4.225 1.00 20.24 H new ATOM 597 N GLY A 124 -2.900 12.180 -4.630 1.00 3.43 N ATOM 598 CA GLY A 124 -2.098 13.376 -4.450 1.00 24.14 C ATOM 599 C GLY A 124 -2.136 13.891 -3.024 1.00 62.21 C ATOM 600 O GLY A 124 -2.025 15.094 -2.790 1.00 32.14 O ATOM 0 H GLY A 124 -2.425 11.413 -5.105 1.00 3.43 H new ATOM 0 HA2 GLY A 124 -1.066 13.163 -4.729 1.00 24.14 H new ATOM 0 HA3 GLY A 124 -2.456 14.154 -5.124 1.00 24.14 H new ATOM 604 N GLN A 125 -2.293 12.978 -2.071 1.00 50.41 N ATOM 605 CA GLN A 125 -2.348 13.348 -0.662 1.00 22.54 C ATOM 606 C GLN A 125 -1.478 12.419 0.179 1.00 33.41 C ATOM 607 O GLN A 125 -1.684 11.205 0.197 1.00 75.44 O ATOM 608 CB GLN A 125 -3.792 13.308 -0.158 1.00 24.31 C ATOM 609 CG GLN A 125 -4.227 14.585 0.542 1.00 12.22 C ATOM 610 CD GLN A 125 -3.926 14.569 2.027 1.00 10.45 C ATOM 611 OE1 GLN A 125 -4.418 13.713 2.763 1.00 45.52 O ATOM 612 NE2 GLN A 125 -3.113 15.518 2.477 1.00 21.10 N ATOM 0 H GLN A 125 -2.384 11.978 -2.249 1.00 50.41 H new ATOM 0 HA GLN A 125 -1.964 14.364 -0.564 1.00 22.54 H new ATOM 0 HB2 GLN A 125 -4.457 13.121 -1.001 1.00 24.31 H new ATOM 0 HB3 GLN A 125 -3.905 12.470 0.530 1.00 24.31 H new ATOM 0 HG2 GLN A 125 -3.724 15.436 0.083 1.00 12.22 H new ATOM 0 HG3 GLN A 125 -5.297 14.729 0.394 1.00 12.22 H new ATOM 0 HE21 GLN A 125 -2.728 16.208 1.832 1.00 21.10 H new ATOM 0 HE22 GLN A 125 -2.874 15.557 3.468 1.00 21.10 H new ATOM 621 N LYS A 126 -0.505 12.996 0.874 1.00 5.23 N ATOM 622 CA LYS A 126 0.398 12.220 1.717 1.00 11.23 C ATOM 623 C LYS A 126 -0.386 11.360 2.705 1.00 43.45 C ATOM 624 O LYS A 126 -1.494 11.713 3.106 1.00 33.40 O ATOM 625 CB LYS A 126 1.345 13.152 2.477 1.00 25.51 C ATOM 626 CG LYS A 126 2.546 12.440 3.077 1.00 2.31 C ATOM 627 CD LYS A 126 3.715 13.391 3.276 1.00 60.33 C ATOM 628 CE LYS A 126 4.769 12.794 4.196 1.00 74.54 C ATOM 629 NZ LYS A 126 6.149 13.146 3.761 1.00 12.33 N ATOM 0 H LYS A 126 -0.321 13.999 0.871 1.00 5.23 H new ATOM 0 HA LYS A 126 0.983 11.563 1.073 1.00 11.23 H new ATOM 0 HB2 LYS A 126 1.696 13.931 1.800 1.00 25.51 H new ATOM 0 HB3 LYS A 126 0.791 13.648 3.274 1.00 25.51 H new ATOM 0 HG2 LYS A 126 2.268 11.998 4.034 1.00 2.31 H new ATOM 0 HG3 LYS A 126 2.849 11.621 2.424 1.00 2.31 H new ATOM 0 HD2 LYS A 126 4.164 13.625 2.310 1.00 60.33 H new ATOM 0 HD3 LYS A 126 3.354 14.330 3.696 1.00 60.33 H new ATOM 0 HE2 LYS A 126 4.607 13.150 5.213 1.00 74.54 H new ATOM 0 HE3 LYS A 126 4.660 11.710 4.217 1.00 74.54 H new ATOM 0 HZ1 LYS A 126 6.838 12.720 4.414 1.00 12.33 H new ATOM 0 HZ2 LYS A 126 6.313 12.784 2.800 1.00 12.33 H new ATOM 0 HZ3 LYS A 126 6.261 14.180 3.765 1.00 12.33 H new ATOM 643 N MET A 127 0.199 10.231 3.091 1.00 63.10 N ATOM 644 CA MET A 127 -0.444 9.322 4.033 1.00 43.42 C ATOM 645 C MET A 127 0.385 9.183 5.307 1.00 11.50 C ATOM 646 O MET A 127 1.551 9.574 5.343 1.00 31.43 O ATOM 647 CB MET A 127 -0.648 7.948 3.391 1.00 5.51 C ATOM 648 CG MET A 127 -1.749 7.924 2.344 1.00 3.01 C ATOM 649 SD MET A 127 -3.383 7.670 3.062 1.00 13.10 S ATOM 650 CE MET A 127 -3.204 6.021 3.739 1.00 45.30 C ATOM 0 H MET A 127 1.116 9.924 2.767 1.00 63.10 H new ATOM 0 HA MET A 127 -1.416 9.740 4.297 1.00 43.42 H new ATOM 0 HB2 MET A 127 0.287 7.629 2.931 1.00 5.51 H new ATOM 0 HB3 MET A 127 -0.883 7.223 4.170 1.00 5.51 H new ATOM 0 HG2 MET A 127 -1.741 8.864 1.792 1.00 3.01 H new ATOM 0 HG3 MET A 127 -1.545 7.130 1.625 1.00 3.01 H new ATOM 0 HE1 MET A 127 -3.683 5.975 4.717 1.00 45.30 H new ATOM 0 HE2 MET A 127 -3.674 5.300 3.070 1.00 45.30 H new ATOM 0 HE3 MET A 127 -2.145 5.783 3.842 1.00 45.30 H new ATOM 660 N GLU A 128 -0.227 8.627 6.348 1.00 64.13 N ATOM 661 CA GLU A 128 0.456 8.439 7.623 1.00 60.43 C ATOM 662 C GLU A 128 0.526 6.959 7.988 1.00 5.21 C ATOM 663 O GLU A 128 -0.474 6.354 8.374 1.00 52.21 O ATOM 664 CB GLU A 128 -0.261 9.215 8.729 1.00 45.31 C ATOM 665 CG GLU A 128 0.586 10.317 9.345 1.00 71.13 C ATOM 666 CD GLU A 128 0.507 10.336 10.859 1.00 73.13 C ATOM 667 OE1 GLU A 128 1.313 9.633 11.504 1.00 42.23 O ATOM 668 OE2 GLU A 128 -0.361 11.053 11.399 1.00 2.53 O ATOM 0 H GLU A 128 -1.193 8.299 6.334 1.00 64.13 H new ATOM 0 HA GLU A 128 1.472 8.820 7.522 1.00 60.43 H new ATOM 0 HB2 GLU A 128 -1.172 9.653 8.322 1.00 45.31 H new ATOM 0 HB3 GLU A 128 -0.563 8.520 9.512 1.00 45.31 H new ATOM 0 HG2 GLU A 128 1.624 10.185 9.041 1.00 71.13 H new ATOM 0 HG3 GLU A 128 0.260 11.281 8.956 1.00 71.13 H new ATOM 675 N THR A 129 1.718 6.381 7.865 1.00 13.23 N ATOM 676 CA THR A 129 1.920 4.972 8.181 1.00 43.53 C ATOM 677 C THR A 129 2.443 4.797 9.601 1.00 22.33 C ATOM 678 O THR A 129 2.834 5.765 10.253 1.00 50.43 O ATOM 679 CB THR A 129 2.906 4.313 7.197 1.00 31.54 C ATOM 680 OG1 THR A 129 4.238 4.764 7.463 1.00 53.43 O ATOM 681 CG2 THR A 129 2.532 4.635 5.758 1.00 11.22 C ATOM 0 H THR A 129 2.557 6.867 7.549 1.00 13.23 H new ATOM 0 HA THR A 129 0.949 4.485 8.093 1.00 43.53 H new ATOM 0 HB THR A 129 2.855 3.233 7.335 1.00 31.54 H new ATOM 0 HG1 THR A 129 4.859 4.339 6.835 1.00 53.43 H new ATOM 0 HG21 THR A 129 3.242 4.159 5.082 1.00 11.22 H new ATOM 0 HG22 THR A 129 1.529 4.263 5.551 1.00 11.22 H new ATOM 0 HG23 THR A 129 2.557 5.714 5.609 1.00 11.22 H new ATOM 689 N ALA A 130 2.448 3.555 10.076 1.00 1.34 N ATOM 690 CA ALA A 130 2.927 3.254 11.420 1.00 32.30 C ATOM 691 C ALA A 130 4.385 2.812 11.397 1.00 65.31 C ATOM 692 O ALA A 130 5.099 2.937 12.392 1.00 72.23 O ATOM 693 CB ALA A 130 2.059 2.181 12.059 1.00 34.44 C ATOM 0 H ALA A 130 2.126 2.742 9.551 1.00 1.34 H new ATOM 0 HA ALA A 130 2.860 4.164 12.016 1.00 32.30 H new ATOM 0 HB1 ALA A 130 2.427 1.965 13.062 1.00 34.44 H new ATOM 0 HB2 ALA A 130 1.029 2.534 12.118 1.00 34.44 H new ATOM 0 HB3 ALA A 130 2.098 1.274 11.455 1.00 34.44 H new ATOM 699 N GLY A 131 4.825 2.294 10.253 1.00 30.23 N ATOM 700 CA GLY A 131 6.197 1.840 10.123 1.00 52.33 C ATOM 701 C GLY A 131 6.524 0.701 11.068 1.00 3.02 C ATOM 702 O GLY A 131 7.188 0.901 12.085 1.00 53.31 O ATOM 0 H GLY A 131 4.255 2.181 9.415 1.00 30.23 H new ATOM 0 HA2 GLY A 131 6.374 1.518 9.097 1.00 52.33 H new ATOM 0 HA3 GLY A 131 6.872 2.674 10.317 1.00 52.33 H new ATOM 706 N GLU A 132 6.055 -0.497 10.733 1.00 64.03 N ATOM 707 CA GLU A 132 6.300 -1.671 11.562 1.00 21.02 C ATOM 708 C GLU A 132 6.859 -2.820 10.727 1.00 73.10 C ATOM 709 O GLU A 132 6.121 -3.502 10.017 1.00 74.22 O ATOM 710 CB GLU A 132 5.009 -2.112 12.256 1.00 44.32 C ATOM 711 CG GLU A 132 4.520 -1.134 13.311 1.00 5.31 C ATOM 712 CD GLU A 132 3.241 -1.590 13.983 1.00 74.52 C ATOM 713 OE1 GLU A 132 3.075 -2.814 14.171 1.00 12.10 O ATOM 714 OE2 GLU A 132 2.406 -0.726 14.319 1.00 34.34 O ATOM 0 H GLU A 132 5.504 -0.680 9.894 1.00 64.03 H new ATOM 0 HA GLU A 132 7.037 -1.402 12.319 1.00 21.02 H new ATOM 0 HB2 GLU A 132 4.230 -2.243 11.505 1.00 44.32 H new ATOM 0 HB3 GLU A 132 5.171 -3.084 12.721 1.00 44.32 H new ATOM 0 HG2 GLU A 132 5.295 -1.003 14.066 1.00 5.31 H new ATOM 0 HG3 GLU A 132 4.356 -0.160 12.850 1.00 5.31 H new ATOM 781 N GLY A 137 9.515 -9.465 6.335 1.00 41.31 N ATOM 782 CA GLY A 137 8.816 -8.471 5.541 1.00 31.24 C ATOM 783 C GLY A 137 8.609 -7.171 6.291 1.00 71.24 C ATOM 784 O GLY A 137 9.268 -6.914 7.299 1.00 51.25 O ATOM 0 HA2 GLY A 137 9.381 -8.275 4.630 1.00 31.24 H new ATOM 0 HA3 GLY A 137 7.848 -8.869 5.236 1.00 31.24 H new ATOM 788 N THR A 138 7.691 -6.344 5.798 1.00 73.41 N ATOM 789 CA THR A 138 7.401 -5.062 6.426 1.00 72.43 C ATOM 790 C THR A 138 5.912 -4.746 6.366 1.00 55.43 C ATOM 791 O THR A 138 5.279 -4.887 5.320 1.00 61.04 O ATOM 792 CB THR A 138 8.185 -3.918 5.755 1.00 20.32 C ATOM 793 OG1 THR A 138 9.139 -4.454 4.832 1.00 42.14 O ATOM 794 CG2 THR A 138 8.899 -3.069 6.796 1.00 45.42 C ATOM 0 H THR A 138 7.136 -6.540 4.965 1.00 73.41 H new ATOM 0 HA THR A 138 7.711 -5.142 7.468 1.00 72.43 H new ATOM 0 HB THR A 138 7.477 -3.287 5.218 1.00 20.32 H new ATOM 0 HG1 THR A 138 9.831 -3.784 4.651 1.00 42.14 H new ATOM 0 HG21 THR A 138 9.446 -2.268 6.299 1.00 45.42 H new ATOM 0 HG22 THR A 138 8.167 -2.639 7.479 1.00 45.42 H new ATOM 0 HG23 THR A 138 9.597 -3.691 7.357 1.00 45.42 H new ATOM 802 N GLU A 139 5.356 -4.315 7.495 1.00 44.32 N ATOM 803 CA GLU A 139 3.940 -3.979 7.569 1.00 12.44 C ATOM 804 C GLU A 139 3.744 -2.469 7.679 1.00 52.43 C ATOM 805 O GLU A 139 4.405 -1.802 8.475 1.00 42.40 O ATOM 806 CB GLU A 139 3.289 -4.676 8.766 1.00 63.04 C ATOM 807 CG GLU A 139 3.727 -6.120 8.940 1.00 31.44 C ATOM 808 CD GLU A 139 3.122 -6.769 10.170 1.00 3.23 C ATOM 809 OE1 GLU A 139 3.547 -6.422 11.293 1.00 42.32 O ATOM 810 OE2 GLU A 139 2.225 -7.622 10.012 1.00 72.53 O ATOM 0 H GLU A 139 5.865 -4.191 8.370 1.00 44.32 H new ATOM 0 HA GLU A 139 3.463 -4.325 6.652 1.00 12.44 H new ATOM 0 HB2 GLU A 139 3.528 -4.121 9.673 1.00 63.04 H new ATOM 0 HB3 GLU A 139 2.206 -4.645 8.649 1.00 63.04 H new ATOM 0 HG2 GLU A 139 3.443 -6.691 8.056 1.00 31.44 H new ATOM 0 HG3 GLU A 139 4.814 -6.160 9.010 1.00 31.44 H new ATOM 817 N THR A 140 2.831 -1.936 6.872 1.00 43.33 N ATOM 818 CA THR A 140 2.550 -0.506 6.875 1.00 33.11 C ATOM 819 C THR A 140 1.101 -0.233 7.263 1.00 4.23 C ATOM 820 O THR A 140 0.178 -0.529 6.504 1.00 13.24 O ATOM 821 CB THR A 140 2.828 0.125 5.498 1.00 33.22 C ATOM 822 OG1 THR A 140 3.346 -0.865 4.601 1.00 13.34 O ATOM 823 CG2 THR A 140 3.817 1.274 5.619 1.00 24.22 C ATOM 0 H THR A 140 2.274 -2.474 6.208 1.00 43.33 H new ATOM 0 HA THR A 140 3.213 -0.055 7.613 1.00 33.11 H new ATOM 0 HB THR A 140 1.889 0.515 5.105 1.00 33.22 H new ATOM 0 HG1 THR A 140 2.617 -1.446 4.299 1.00 13.34 H new ATOM 0 HG21 THR A 140 3.998 1.704 4.634 1.00 24.22 H new ATOM 0 HG22 THR A 140 3.407 2.039 6.279 1.00 24.22 H new ATOM 0 HG23 THR A 140 4.756 0.904 6.031 1.00 24.22 H new ATOM 831 N HIS A 141 0.909 0.335 8.450 1.00 74.30 N ATOM 832 CA HIS A 141 -0.429 0.650 8.939 1.00 31.11 C ATOM 833 C HIS A 141 -0.740 2.133 8.755 1.00 31.21 C ATOM 834 O HIS A 141 -0.160 2.987 9.426 1.00 34.20 O ATOM 835 CB HIS A 141 -0.560 0.269 10.413 1.00 1.24 C ATOM 836 CG HIS A 141 -0.028 -1.095 10.729 1.00 21.24 C ATOM 837 ND1 HIS A 141 -0.835 -2.205 10.862 1.00 62.24 N ATOM 838 CD2 HIS A 141 1.239 -1.525 10.937 1.00 74.42 C ATOM 839 CE1 HIS A 141 -0.087 -3.260 11.139 1.00 55.43 C ATOM 840 NE2 HIS A 141 1.174 -2.874 11.190 1.00 41.24 N ATOM 0 H HIS A 141 1.662 0.586 9.090 1.00 74.30 H new ATOM 0 HA HIS A 141 -1.146 0.071 8.357 1.00 31.11 H new ATOM 0 HB2 HIS A 141 -0.031 1.005 11.018 1.00 1.24 H new ATOM 0 HB3 HIS A 141 -1.611 0.316 10.700 1.00 1.24 H new ATOM 0 HD2 HIS A 141 2.134 -0.921 10.909 1.00 74.42 H new ATOM 0 HE1 HIS A 141 -0.447 -4.266 11.297 1.00 55.43 H new ATOM 0 HE2 HIS A 141 1.971 -3.479 11.386 1.00 41.24 H new ATOM 848 N PHE A 142 -1.657 2.431 7.841 1.00 35.01 N ATOM 849 CA PHE A 142 -2.043 3.810 7.568 1.00 73.14 C ATOM 850 C PHE A 142 -3.560 3.940 7.461 1.00 62.12 C ATOM 851 O PHE A 142 -4.219 3.130 6.809 1.00 65.44 O ATOM 852 CB PHE A 142 -1.387 4.299 6.275 1.00 45.01 C ATOM 853 CG PHE A 142 -1.383 3.273 5.178 1.00 22.05 C ATOM 854 CD1 PHE A 142 -2.536 3.007 4.457 1.00 20.21 C ATOM 855 CD2 PHE A 142 -0.228 2.575 4.869 1.00 23.42 C ATOM 856 CE1 PHE A 142 -2.535 2.062 3.449 1.00 52.34 C ATOM 857 CE2 PHE A 142 -0.221 1.629 3.861 1.00 43.15 C ATOM 858 CZ PHE A 142 -1.376 1.373 3.149 1.00 21.11 C ATOM 0 H PHE A 142 -2.147 1.736 7.277 1.00 35.01 H new ATOM 0 HA PHE A 142 -1.700 4.427 8.398 1.00 73.14 H new ATOM 0 HB2 PHE A 142 -1.910 5.190 5.926 1.00 45.01 H new ATOM 0 HB3 PHE A 142 -0.360 4.595 6.488 1.00 45.01 H new ATOM 0 HD1 PHE A 142 -3.445 3.544 4.685 1.00 20.21 H new ATOM 0 HD2 PHE A 142 0.678 2.772 5.422 1.00 23.42 H new ATOM 0 HE1 PHE A 142 -3.441 1.862 2.896 1.00 52.34 H new ATOM 0 HE2 PHE A 142 0.687 1.091 3.631 1.00 43.15 H new ATOM 0 HZ PHE A 142 -1.373 0.636 2.360 1.00 21.11 H new ATOM 868 N SER A 143 -4.107 4.964 8.107 1.00 30.22 N ATOM 869 CA SER A 143 -5.547 5.198 8.089 1.00 11.22 C ATOM 870 C SER A 143 -5.955 5.981 6.844 1.00 23.54 C ATOM 871 O SER A 143 -5.168 6.754 6.298 1.00 32.21 O ATOM 872 CB SER A 143 -5.977 5.957 9.346 1.00 32.51 C ATOM 873 OG SER A 143 -5.943 7.357 9.132 1.00 11.34 O ATOM 0 H SER A 143 -3.576 5.645 8.649 1.00 30.22 H new ATOM 0 HA SER A 143 -6.047 4.230 8.068 1.00 11.22 H new ATOM 0 HB2 SER A 143 -6.984 5.654 9.631 1.00 32.51 H new ATOM 0 HB3 SER A 143 -5.319 5.696 10.175 1.00 32.51 H new ATOM 0 HG SER A 143 -6.223 7.820 9.949 1.00 11.34 H new ATOM 879 N VAL A 144 -7.190 5.773 6.401 1.00 60.31 N ATOM 880 CA VAL A 144 -7.705 6.458 5.221 1.00 21.05 C ATOM 881 C VAL A 144 -9.129 6.952 5.451 1.00 1.40 C ATOM 882 O VAL A 144 -10.089 6.195 5.318 1.00 41.54 O ATOM 883 CB VAL A 144 -7.686 5.539 3.986 1.00 45.02 C ATOM 884 CG1 VAL A 144 -8.269 6.256 2.778 1.00 55.32 C ATOM 885 CG2 VAL A 144 -6.270 5.062 3.699 1.00 22.05 C ATOM 0 H VAL A 144 -7.853 5.135 6.841 1.00 60.31 H new ATOM 0 HA VAL A 144 -7.052 7.311 5.040 1.00 21.05 H new ATOM 0 HB VAL A 144 -8.305 4.666 4.195 1.00 45.02 H new ATOM 0 HG11 VAL A 144 -8.247 5.591 1.915 1.00 55.32 H new ATOM 0 HG12 VAL A 144 -9.299 6.544 2.988 1.00 55.32 H new ATOM 0 HG13 VAL A 144 -7.679 7.147 2.564 1.00 55.32 H new ATOM 0 HG21 VAL A 144 -6.275 4.414 2.823 1.00 22.05 H new ATOM 0 HG22 VAL A 144 -5.628 5.922 3.510 1.00 22.05 H new ATOM 0 HG23 VAL A 144 -5.891 4.508 4.558 1.00 22.05 H new ATOM 895 N GLY A 145 -9.257 8.230 5.797 1.00 31.21 N ATOM 896 CA GLY A 145 -10.567 8.805 6.039 1.00 20.02 C ATOM 897 C GLY A 145 -11.363 8.023 7.065 1.00 64.32 C ATOM 898 O GLY A 145 -11.077 8.085 8.260 1.00 25.33 O ATOM 0 H GLY A 145 -8.477 8.877 5.914 1.00 31.21 H new ATOM 0 HA2 GLY A 145 -10.451 9.834 6.381 1.00 20.02 H new ATOM 0 HA3 GLY A 145 -11.123 8.841 5.102 1.00 20.02 H new ATOM 902 N ASN A 146 -12.366 7.286 6.598 1.00 42.11 N ATOM 903 CA ASN A 146 -13.208 6.490 7.485 1.00 3.42 C ATOM 904 C ASN A 146 -13.063 5.003 7.181 1.00 4.01 C ATOM 905 O ASN A 146 -13.974 4.214 7.436 1.00 50.21 O ATOM 906 CB ASN A 146 -14.672 6.911 7.345 1.00 1.35 C ATOM 907 CG ASN A 146 -15.532 6.397 8.483 1.00 32.32 C ATOM 908 OD1 ASN A 146 -15.397 6.834 9.626 1.00 23.23 O ATOM 909 ND2 ASN A 146 -16.422 5.461 8.175 1.00 73.24 N ATOM 0 H ASN A 146 -12.616 7.223 5.611 1.00 42.11 H new ATOM 0 HA ASN A 146 -12.883 6.666 8.510 1.00 3.42 H new ATOM 0 HB2 ASN A 146 -14.733 7.999 7.310 1.00 1.35 H new ATOM 0 HB3 ASN A 146 -15.065 6.539 6.399 1.00 1.35 H new ATOM 0 HD21 ASN A 146 -17.028 5.075 8.899 1.00 73.24 H new ATOM 0 HD22 ASN A 146 -16.500 5.128 7.214 1.00 73.24 H new ATOM 916 N HIS A 147 -11.911 4.625 6.635 1.00 35.22 N ATOM 917 CA HIS A 147 -11.647 3.231 6.297 1.00 23.52 C ATOM 918 C HIS A 147 -10.357 2.748 6.955 1.00 23.10 C ATOM 919 O HIS A 147 -9.787 3.434 7.804 1.00 61.21 O ATOM 920 CB HIS A 147 -11.554 3.060 4.781 1.00 32.13 C ATOM 921 CG HIS A 147 -12.746 3.590 4.045 1.00 4.34 C ATOM 922 ND1 HIS A 147 -14.044 3.278 4.389 1.00 21.54 N ATOM 923 CD2 HIS A 147 -12.831 4.419 2.978 1.00 42.21 C ATOM 924 CE1 HIS A 147 -14.875 3.889 3.566 1.00 53.55 C ATOM 925 NE2 HIS A 147 -14.164 4.589 2.700 1.00 41.41 N ATOM 0 H HIS A 147 -11.146 5.264 6.418 1.00 35.22 H new ATOM 0 HA HIS A 147 -12.474 2.629 6.673 1.00 23.52 H new ATOM 0 HB2 HIS A 147 -10.659 3.568 4.420 1.00 32.13 H new ATOM 0 HB3 HIS A 147 -11.435 2.002 4.549 1.00 32.13 H new ATOM 0 HD2 HIS A 147 -12.004 4.864 2.445 1.00 42.21 H new ATOM 0 HE1 HIS A 147 -15.953 3.827 3.595 1.00 53.55 H new ATOM 0 HE2 HIS A 147 -14.544 5.163 1.947 1.00 41.41 H new ATOM 933 N ASP A 148 -9.902 1.565 6.558 1.00 74.23 N ATOM 934 CA ASP A 148 -8.681 0.991 7.108 1.00 65.31 C ATOM 935 C ASP A 148 -7.900 0.241 6.033 1.00 32.11 C ATOM 936 O ASP A 148 -8.283 -0.856 5.625 1.00 21.44 O ATOM 937 CB ASP A 148 -9.011 0.048 8.267 1.00 73.22 C ATOM 938 CG ASP A 148 -9.766 0.744 9.382 1.00 41.15 C ATOM 939 OD1 ASP A 148 -9.129 1.492 10.152 1.00 51.32 O ATOM 940 OD2 ASP A 148 -10.994 0.539 9.485 1.00 43.45 O ATOM 0 H ASP A 148 -10.361 0.985 5.856 1.00 74.23 H new ATOM 0 HA ASP A 148 -8.061 1.807 7.479 1.00 65.31 H new ATOM 0 HB2 ASP A 148 -9.606 -0.786 7.895 1.00 73.22 H new ATOM 0 HB3 ASP A 148 -8.087 -0.372 8.665 1.00 73.22 H new ATOM 945 N CYS A 149 -6.806 0.840 5.577 1.00 4.44 N ATOM 946 CA CYS A 149 -5.973 0.230 4.547 1.00 45.41 C ATOM 947 C CYS A 149 -4.550 0.016 5.055 1.00 75.31 C ATOM 948 O CYS A 149 -4.115 0.667 6.005 1.00 2.21 O ATOM 949 CB CYS A 149 -5.953 1.105 3.293 1.00 44.41 C ATOM 950 SG CYS A 149 -7.582 1.698 2.781 1.00 71.11 S ATOM 0 H CYS A 149 -6.475 1.748 5.904 1.00 4.44 H new ATOM 0 HA CYS A 149 -6.401 -0.741 4.297 1.00 45.41 H new ATOM 0 HB2 CYS A 149 -5.306 1.963 3.472 1.00 44.41 H new ATOM 0 HB3 CYS A 149 -5.511 0.538 2.474 1.00 44.41 H new ATOM 0 HG CYS A 149 -8.014 2.574 3.639 1.00 71.11 H new ATOM 956 N TYR A 150 -3.831 -0.902 4.417 1.00 14.54 N ATOM 957 CA TYR A 150 -2.459 -1.205 4.807 1.00 54.22 C ATOM 958 C TYR A 150 -1.700 -1.863 3.659 1.00 54.24 C ATOM 959 O TYR A 150 -2.264 -2.651 2.900 1.00 62.43 O ATOM 960 CB TYR A 150 -2.446 -2.118 6.034 1.00 65.14 C ATOM 961 CG TYR A 150 -2.854 -3.543 5.732 1.00 73.14 C ATOM 962 CD1 TYR A 150 -4.189 -3.927 5.775 1.00 31.13 C ATOM 963 CD2 TYR A 150 -1.905 -4.504 5.404 1.00 55.24 C ATOM 964 CE1 TYR A 150 -4.567 -5.228 5.501 1.00 3.32 C ATOM 965 CE2 TYR A 150 -2.275 -5.805 5.127 1.00 71.52 C ATOM 966 CZ TYR A 150 -3.606 -6.163 5.177 1.00 3.53 C ATOM 967 OH TYR A 150 -3.978 -7.459 4.903 1.00 22.44 O ATOM 0 H TYR A 150 -4.176 -1.449 3.628 1.00 14.54 H new ATOM 0 HA TYR A 150 -1.962 -0.267 5.056 1.00 54.22 H new ATOM 0 HB2 TYR A 150 -1.445 -2.119 6.465 1.00 65.14 H new ATOM 0 HB3 TYR A 150 -3.118 -1.709 6.788 1.00 65.14 H new ATOM 0 HD1 TYR A 150 -4.944 -3.197 6.027 1.00 31.13 H new ATOM 0 HD2 TYR A 150 -0.861 -4.229 5.365 1.00 55.24 H new ATOM 0 HE1 TYR A 150 -5.609 -5.511 5.540 1.00 3.32 H new ATOM 0 HE2 TYR A 150 -1.525 -6.539 4.872 1.00 71.52 H new ATOM 0 HH TYR A 150 -3.188 -8.038 4.929 1.00 22.44 H new ATOM 977 N ILE A 151 -0.419 -1.534 3.540 1.00 4.40 N ATOM 978 CA ILE A 151 0.419 -2.094 2.488 1.00 51.02 C ATOM 979 C ILE A 151 1.266 -3.248 3.014 1.00 1.04 C ATOM 980 O ILE A 151 2.183 -3.046 3.811 1.00 71.41 O ATOM 981 CB ILE A 151 1.347 -1.027 1.879 1.00 52.54 C ATOM 982 CG1 ILE A 151 0.603 -0.220 0.813 1.00 15.00 C ATOM 983 CG2 ILE A 151 2.587 -1.679 1.286 1.00 23.14 C ATOM 984 CD1 ILE A 151 0.873 1.266 0.882 1.00 11.51 C ATOM 0 H ILE A 151 0.062 -0.882 4.160 1.00 4.40 H new ATOM 0 HA ILE A 151 -0.253 -2.464 1.714 1.00 51.02 H new ATOM 0 HB ILE A 151 1.661 -0.346 2.670 1.00 52.54 H new ATOM 0 HG12 ILE A 151 0.887 -0.587 -0.173 1.00 15.00 H new ATOM 0 HG13 ILE A 151 -0.468 -0.392 0.921 1.00 15.00 H new ATOM 0 HG21 ILE A 151 3.233 -0.912 0.859 1.00 23.14 H new ATOM 0 HG22 ILE A 151 3.126 -2.214 2.068 1.00 23.14 H new ATOM 0 HG23 ILE A 151 2.292 -2.380 0.505 1.00 23.14 H new ATOM 0 HD11 ILE A 151 0.313 1.774 0.097 1.00 11.51 H new ATOM 0 HD12 ILE A 151 0.562 1.647 1.855 1.00 11.51 H new ATOM 0 HD13 ILE A 151 1.939 1.449 0.744 1.00 11.51 H new ATOM 996 N LYS A 152 0.954 -4.457 2.563 1.00 63.32 N ATOM 997 CA LYS A 152 1.688 -5.645 2.985 1.00 40.12 C ATOM 998 C LYS A 152 2.987 -5.789 2.199 1.00 22.42 C ATOM 999 O LYS A 152 2.980 -6.212 1.043 1.00 24.00 O ATOM 1000 CB LYS A 152 0.826 -6.895 2.800 1.00 72.43 C ATOM 1001 CG LYS A 152 0.827 -7.819 4.005 1.00 12.53 C ATOM 1002 CD LYS A 152 -0.174 -8.950 3.842 1.00 61.32 C ATOM 1003 CE LYS A 152 -0.418 -9.674 5.158 1.00 45.44 C ATOM 1004 NZ LYS A 152 0.685 -10.621 5.482 1.00 60.30 N ATOM 0 H LYS A 152 0.197 -4.641 1.905 1.00 63.32 H new ATOM 0 HA LYS A 152 1.933 -5.534 4.041 1.00 40.12 H new ATOM 0 HB2 LYS A 152 -0.199 -6.591 2.587 1.00 72.43 H new ATOM 0 HB3 LYS A 152 1.182 -7.446 1.930 1.00 72.43 H new ATOM 0 HG2 LYS A 152 1.825 -8.233 4.146 1.00 12.53 H new ATOM 0 HG3 LYS A 152 0.589 -7.248 4.902 1.00 12.53 H new ATOM 0 HD2 LYS A 152 -1.116 -8.552 3.465 1.00 61.32 H new ATOM 0 HD3 LYS A 152 0.193 -9.658 3.099 1.00 61.32 H new ATOM 0 HE2 LYS A 152 -0.518 -8.944 5.961 1.00 45.44 H new ATOM 0 HE3 LYS A 152 -1.360 -10.219 5.104 1.00 45.44 H new ATOM 0 HZ1 LYS A 152 0.482 -11.094 6.385 1.00 60.30 H new ATOM 0 HZ2 LYS A 152 0.764 -11.333 4.728 1.00 60.30 H new ATOM 0 HZ3 LYS A 152 1.580 -10.098 5.559 1.00 60.30 H new ATOM 1018 N ALA A 153 4.101 -5.439 2.835 1.00 54.22 N ATOM 1019 CA ALA A 153 5.407 -5.533 2.196 1.00 12.03 C ATOM 1020 C ALA A 153 6.067 -6.876 2.491 1.00 31.03 C ATOM 1021 O ALA A 153 6.106 -7.321 3.638 1.00 15.54 O ATOM 1022 CB ALA A 153 6.302 -4.391 2.654 1.00 11.11 C ATOM 0 H ALA A 153 4.124 -5.088 3.792 1.00 54.22 H new ATOM 0 HA ALA A 153 5.263 -5.457 1.118 1.00 12.03 H new ATOM 0 HB1 ALA A 153 7.274 -4.474 2.169 1.00 11.11 H new ATOM 0 HB2 ALA A 153 5.843 -3.439 2.387 1.00 11.11 H new ATOM 0 HB3 ALA A 153 6.431 -4.441 3.735 1.00 11.11 H new ATOM 1028 N VAL A 154 6.584 -7.518 1.449 1.00 53.25 N ATOM 1029 CA VAL A 154 7.242 -8.810 1.597 1.00 41.45 C ATOM 1030 C VAL A 154 8.636 -8.790 0.980 1.00 62.45 C ATOM 1031 O VAL A 154 8.804 -8.449 -0.191 1.00 41.55 O ATOM 1032 CB VAL A 154 6.420 -9.937 0.943 1.00 33.32 C ATOM 1033 CG1 VAL A 154 7.015 -11.296 1.278 1.00 24.22 C ATOM 1034 CG2 VAL A 154 4.967 -9.859 1.385 1.00 14.11 C ATOM 0 H VAL A 154 6.560 -7.164 0.493 1.00 53.25 H new ATOM 0 HA VAL A 154 7.323 -9.003 2.667 1.00 41.45 H new ATOM 0 HB VAL A 154 6.455 -9.809 -0.139 1.00 33.32 H new ATOM 0 HG11 VAL A 154 6.421 -12.079 0.807 1.00 24.22 H new ATOM 0 HG12 VAL A 154 8.039 -11.346 0.908 1.00 24.22 H new ATOM 0 HG13 VAL A 154 7.012 -11.438 2.359 1.00 24.22 H new ATOM 0 HG21 VAL A 154 4.400 -10.662 0.914 1.00 14.11 H new ATOM 0 HG22 VAL A 154 4.910 -9.962 2.469 1.00 14.11 H new ATOM 0 HG23 VAL A 154 4.548 -8.897 1.089 1.00 14.11 H new ATOM 1044 N SER A 155 9.635 -9.159 1.775 1.00 31.44 N ATOM 1045 CA SER A 155 11.017 -9.180 1.308 1.00 31.44 C ATOM 1046 C SER A 155 11.394 -10.567 0.792 1.00 1.34 C ATOM 1047 O SER A 155 11.062 -11.580 1.406 1.00 71.23 O ATOM 1048 CB SER A 155 11.964 -8.768 2.436 1.00 4.41 C ATOM 1049 OG SER A 155 12.481 -9.904 3.109 1.00 54.44 O ATOM 0 H SER A 155 9.514 -9.448 2.746 1.00 31.44 H new ATOM 0 HA SER A 155 11.110 -8.468 0.488 1.00 31.44 H new ATOM 0 HB2 SER A 155 12.785 -8.178 2.029 1.00 4.41 H new ATOM 0 HB3 SER A 155 11.435 -8.131 3.145 1.00 4.41 H new ATOM 0 HG SER A 155 13.085 -9.614 3.824 1.00 54.44 H new ATOM 1055 N SER A 156 12.091 -10.600 -0.338 1.00 41.25 N ATOM 1056 CA SER A 156 12.511 -11.861 -0.940 1.00 12.42 C ATOM 1057 C SER A 156 13.937 -11.758 -1.474 1.00 32.21 C ATOM 1058 O SER A 156 14.361 -10.704 -1.945 1.00 71.43 O ATOM 1059 CB SER A 156 11.558 -12.252 -2.071 1.00 24.53 C ATOM 1060 OG SER A 156 12.044 -11.808 -3.326 1.00 24.12 O ATOM 0 H SER A 156 12.377 -9.769 -0.856 1.00 41.25 H new ATOM 0 HA SER A 156 12.484 -12.631 -0.169 1.00 12.42 H new ATOM 0 HB2 SER A 156 11.434 -13.335 -2.088 1.00 24.53 H new ATOM 0 HB3 SER A 156 10.574 -11.822 -1.886 1.00 24.53 H new ATOM 0 HG SER A 156 12.219 -10.845 -3.287 1.00 24.12 H new ATOM 1066 N GLY A 157 14.671 -12.864 -1.395 1.00 43.14 N ATOM 1067 CA GLY A 157 16.042 -12.879 -1.873 1.00 62.30 C ATOM 1068 C GLY A 157 16.996 -13.507 -0.878 1.00 11.15 C ATOM 1069 O GLY A 157 16.672 -13.645 0.303 1.00 65.11 O ATOM 0 H GLY A 157 14.341 -13.749 -1.009 1.00 43.14 H new ATOM 0 HA2 GLY A 157 16.090 -13.428 -2.813 1.00 62.30 H new ATOM 0 HA3 GLY A 157 16.361 -11.858 -2.083 1.00 62.30 H new ATOM 1073 N LYS A 158 18.177 -13.891 -1.352 1.00 32.12 N ATOM 1074 CA LYS A 158 19.182 -14.509 -0.496 1.00 40.00 C ATOM 1075 C LYS A 158 19.487 -13.626 0.710 1.00 50.03 C ATOM 1076 O LYS A 158 19.631 -14.116 1.830 1.00 34.52 O ATOM 1077 CB LYS A 158 20.465 -14.769 -1.288 1.00 25.14 C ATOM 1078 CG LYS A 158 20.250 -15.603 -2.539 1.00 13.31 C ATOM 1079 CD LYS A 158 20.662 -14.848 -3.790 1.00 45.54 C ATOM 1080 CE LYS A 158 21.314 -15.770 -4.809 1.00 61.00 C ATOM 1081 NZ LYS A 158 22.179 -15.021 -5.762 1.00 5.31 N ATOM 0 H LYS A 158 18.461 -13.785 -2.326 1.00 32.12 H new ATOM 0 HA LYS A 158 18.784 -15.458 -0.138 1.00 40.00 H new ATOM 0 HB2 LYS A 158 20.908 -13.814 -1.570 1.00 25.14 H new ATOM 0 HB3 LYS A 158 21.184 -15.275 -0.643 1.00 25.14 H new ATOM 0 HG2 LYS A 158 20.824 -16.527 -2.465 1.00 13.31 H new ATOM 0 HG3 LYS A 158 19.200 -15.886 -2.613 1.00 13.31 H new ATOM 0 HD2 LYS A 158 19.787 -14.374 -4.235 1.00 45.54 H new ATOM 0 HD3 LYS A 158 21.356 -14.051 -3.523 1.00 45.54 H new ATOM 0 HE2 LYS A 158 21.910 -16.520 -4.290 1.00 61.00 H new ATOM 0 HE3 LYS A 158 20.541 -16.304 -5.362 1.00 61.00 H new ATOM 0 HZ1 LYS A 158 22.605 -15.685 -6.440 1.00 5.31 H new ATOM 0 HZ2 LYS A 158 21.605 -14.322 -6.276 1.00 5.31 H new ATOM 0 HZ3 LYS A 158 22.932 -14.532 -5.237 1.00 5.31 H new ATOM 1095 N ARG A 159 19.582 -12.321 0.474 1.00 25.52 N ATOM 1096 CA ARG A 159 19.869 -11.370 1.542 1.00 63.35 C ATOM 1097 C ARG A 159 18.973 -10.140 1.429 1.00 44.13 C ATOM 1098 O ARG A 159 19.440 -9.006 1.535 1.00 24.40 O ATOM 1099 CB ARG A 159 21.339 -10.949 1.497 1.00 33.51 C ATOM 1100 CG ARG A 159 22.308 -12.098 1.725 1.00 12.45 C ATOM 1101 CD ARG A 159 22.461 -12.411 3.206 1.00 1.31 C ATOM 1102 NE ARG A 159 22.756 -13.822 3.440 1.00 52.24 N ATOM 1103 CZ ARG A 159 22.957 -14.341 4.646 1.00 12.34 C ATOM 1104 NH1 ARG A 159 22.895 -13.569 5.722 1.00 54.00 N ATOM 1105 NH2 ARG A 159 23.220 -15.635 4.777 1.00 21.22 N ATOM 0 H ARG A 159 19.464 -11.898 -0.447 1.00 25.52 H new ATOM 0 HA ARG A 159 19.667 -11.859 2.495 1.00 63.35 H new ATOM 0 HB2 ARG A 159 21.549 -10.495 0.529 1.00 33.51 H new ATOM 0 HB3 ARG A 159 21.512 -10.183 2.253 1.00 33.51 H new ATOM 0 HG2 ARG A 159 21.953 -12.984 1.199 1.00 12.45 H new ATOM 0 HG3 ARG A 159 23.281 -11.845 1.303 1.00 12.45 H new ATOM 0 HD2 ARG A 159 23.260 -11.799 3.625 1.00 1.31 H new ATOM 0 HD3 ARG A 159 21.544 -12.141 3.730 1.00 1.31 H new ATOM 0 HE ARG A 159 22.811 -14.443 2.633 1.00 52.24 H new ATOM 0 HH11 ARG A 159 22.693 -12.574 5.625 1.00 54.00 H new ATOM 0 HH12 ARG A 159 23.050 -13.970 6.647 1.00 54.00 H new ATOM 0 HH21 ARG A 159 23.268 -16.232 3.951 1.00 21.22 H new ATOM 0 HH22 ARG A 159 23.374 -16.033 5.703 1.00 21.22 H new ATOM 1119 N LYS A 160 17.684 -10.372 1.212 1.00 75.43 N ATOM 1120 CA LYS A 160 16.721 -9.284 1.085 1.00 31.10 C ATOM 1121 C LYS A 160 17.155 -8.296 0.007 1.00 33.11 C ATOM 1122 O LYS A 160 17.611 -7.194 0.310 1.00 34.04 O ATOM 1123 CB LYS A 160 16.561 -8.558 2.422 1.00 33.24 C ATOM 1124 CG LYS A 160 16.162 -9.474 3.568 1.00 50.34 C ATOM 1125 CD LYS A 160 17.325 -9.722 4.514 1.00 41.53 C ATOM 1126 CE LYS A 160 17.045 -10.891 5.446 1.00 44.32 C ATOM 1127 NZ LYS A 160 16.999 -10.465 6.872 1.00 55.54 N ATOM 0 H LYS A 160 17.281 -11.304 1.120 1.00 75.43 H new ATOM 0 HA LYS A 160 15.762 -9.713 0.795 1.00 31.10 H new ATOM 0 HB2 LYS A 160 17.500 -8.064 2.673 1.00 33.24 H new ATOM 0 HB3 LYS A 160 15.809 -7.776 2.314 1.00 33.24 H new ATOM 0 HG2 LYS A 160 15.333 -9.030 4.118 1.00 50.34 H new ATOM 0 HG3 LYS A 160 15.807 -10.424 3.169 1.00 50.34 H new ATOM 0 HD2 LYS A 160 18.228 -9.923 3.938 1.00 41.53 H new ATOM 0 HD3 LYS A 160 17.515 -8.824 5.102 1.00 41.53 H new ATOM 0 HE2 LYS A 160 16.096 -11.353 5.174 1.00 44.32 H new ATOM 0 HE3 LYS A 160 17.817 -11.650 5.318 1.00 44.32 H new ATOM 0 HZ1 LYS A 160 16.806 -11.290 7.475 1.00 55.54 H new ATOM 0 HZ2 LYS A 160 17.913 -10.047 7.139 1.00 55.54 H new ATOM 0 HZ3 LYS A 160 16.246 -9.759 6.999 1.00 55.54 H new ATOM 1141 N GLU A 161 17.008 -8.698 -1.252 1.00 72.31 N ATOM 1142 CA GLU A 161 17.385 -7.846 -2.373 1.00 51.11 C ATOM 1143 C GLU A 161 16.155 -7.418 -3.169 1.00 51.10 C ATOM 1144 O GLU A 161 16.082 -6.293 -3.661 1.00 41.32 O ATOM 1145 CB GLU A 161 18.369 -8.577 -3.290 1.00 3.04 C ATOM 1146 CG GLU A 161 17.898 -9.960 -3.710 1.00 1.42 C ATOM 1147 CD GLU A 161 18.901 -10.673 -4.594 1.00 61.34 C ATOM 1148 OE1 GLU A 161 20.117 -10.542 -4.341 1.00 51.23 O ATOM 1149 OE2 GLU A 161 18.469 -11.365 -5.541 1.00 43.40 O ATOM 0 H GLU A 161 16.631 -9.607 -1.520 1.00 72.31 H new ATOM 0 HA GLU A 161 17.866 -6.954 -1.972 1.00 51.11 H new ATOM 0 HB2 GLU A 161 18.538 -7.974 -4.182 1.00 3.04 H new ATOM 0 HB3 GLU A 161 19.328 -8.668 -2.780 1.00 3.04 H new ATOM 0 HG2 GLU A 161 17.711 -10.562 -2.821 1.00 1.42 H new ATOM 0 HG3 GLU A 161 16.950 -9.871 -4.240 1.00 1.42 H new ATOM 1156 N GLY A 162 15.191 -8.325 -3.290 1.00 72.11 N ATOM 1157 CA GLY A 162 13.977 -8.023 -4.027 1.00 73.44 C ATOM 1158 C GLY A 162 12.758 -7.946 -3.130 1.00 34.53 C ATOM 1159 O GLY A 162 12.314 -8.958 -2.586 1.00 22.53 O ATOM 0 H GLY A 162 15.228 -9.263 -2.891 1.00 72.11 H new ATOM 0 HA2 GLY A 162 14.100 -7.075 -4.550 1.00 73.44 H new ATOM 0 HA3 GLY A 162 13.817 -8.788 -4.787 1.00 73.44 H new ATOM 1163 N ILE A 163 12.215 -6.743 -2.973 1.00 24.35 N ATOM 1164 CA ILE A 163 11.041 -6.539 -2.134 1.00 63.33 C ATOM 1165 C ILE A 163 9.814 -6.209 -2.978 1.00 0.11 C ATOM 1166 O ILE A 163 9.924 -5.584 -4.033 1.00 3.02 O ATOM 1167 CB ILE A 163 11.267 -5.408 -1.113 1.00 24.00 C ATOM 1168 CG1 ILE A 163 12.562 -5.648 -0.333 1.00 33.43 C ATOM 1169 CG2 ILE A 163 10.083 -5.305 -0.165 1.00 34.02 C ATOM 1170 CD1 ILE A 163 12.878 -4.555 0.663 1.00 4.23 C ATOM 0 H ILE A 163 12.570 -5.895 -3.416 1.00 24.35 H new ATOM 0 HA ILE A 163 10.871 -7.472 -1.597 1.00 63.33 H new ATOM 0 HB ILE A 163 11.358 -4.465 -1.652 1.00 24.00 H new ATOM 0 HG12 ILE A 163 12.488 -6.599 0.195 1.00 33.43 H new ATOM 0 HG13 ILE A 163 13.389 -5.737 -1.037 1.00 33.43 H new ATOM 0 HG21 ILE A 163 10.258 -4.501 0.550 1.00 34.02 H new ATOM 0 HG22 ILE A 163 9.178 -5.093 -0.735 1.00 34.02 H new ATOM 0 HG23 ILE A 163 9.962 -6.247 0.370 1.00 34.02 H new ATOM 0 HD11 ILE A 163 13.809 -4.791 1.179 1.00 4.23 H new ATOM 0 HD12 ILE A 163 12.984 -3.605 0.139 1.00 4.23 H new ATOM 0 HD13 ILE A 163 12.069 -4.480 1.390 1.00 4.23 H new ATOM 1182 N ILE A 164 8.647 -6.631 -2.504 1.00 32.32 N ATOM 1183 CA ILE A 164 7.399 -6.377 -3.213 1.00 60.13 C ATOM 1184 C ILE A 164 6.291 -5.967 -2.249 1.00 3.34 C ATOM 1185 O ILE A 164 5.961 -6.701 -1.317 1.00 54.32 O ATOM 1186 CB ILE A 164 6.940 -7.615 -4.006 1.00 74.42 C ATOM 1187 CG1 ILE A 164 8.027 -8.050 -4.990 1.00 64.23 C ATOM 1188 CG2 ILE A 164 5.640 -7.324 -4.740 1.00 51.41 C ATOM 1189 CD1 ILE A 164 7.802 -9.429 -5.571 1.00 13.44 C ATOM 0 H ILE A 164 8.539 -7.150 -1.633 1.00 32.32 H new ATOM 0 HA ILE A 164 7.593 -5.560 -3.908 1.00 60.13 H new ATOM 0 HB ILE A 164 6.763 -8.431 -3.305 1.00 74.42 H new ATOM 0 HG12 ILE A 164 8.080 -7.326 -5.803 1.00 64.23 H new ATOM 0 HG13 ILE A 164 8.992 -8.031 -4.484 1.00 64.23 H new ATOM 0 HG21 ILE A 164 5.330 -8.209 -5.295 1.00 51.41 H new ATOM 0 HG22 ILE A 164 4.867 -7.058 -4.019 1.00 51.41 H new ATOM 0 HG23 ILE A 164 5.791 -6.496 -5.432 1.00 51.41 H new ATOM 0 HD11 ILE A 164 8.612 -9.670 -6.260 1.00 13.44 H new ATOM 0 HD12 ILE A 164 7.779 -10.164 -4.766 1.00 13.44 H new ATOM 0 HD13 ILE A 164 6.853 -9.448 -6.106 1.00 13.44 H new ATOM 1201 N HIS A 165 5.722 -4.788 -2.478 1.00 42.20 N ATOM 1202 CA HIS A 165 4.649 -4.280 -1.630 1.00 41.52 C ATOM 1203 C HIS A 165 3.284 -4.615 -2.222 1.00 35.45 C ATOM 1204 O HIS A 165 3.061 -4.468 -3.423 1.00 43.52 O ATOM 1205 CB HIS A 165 4.783 -2.766 -1.455 1.00 34.12 C ATOM 1206 CG HIS A 165 6.193 -2.311 -1.236 1.00 62.32 C ATOM 1207 ND1 HIS A 165 7.057 -2.013 -2.269 1.00 50.12 N ATOM 1208 CD2 HIS A 165 6.888 -2.101 -0.094 1.00 40.33 C ATOM 1209 CE1 HIS A 165 8.223 -1.642 -1.771 1.00 40.24 C ATOM 1210 NE2 HIS A 165 8.147 -1.686 -0.454 1.00 10.22 N ATOM 0 H HIS A 165 5.985 -4.167 -3.243 1.00 42.20 H new ATOM 0 HA HIS A 165 4.731 -4.761 -0.655 1.00 41.52 H new ATOM 0 HB2 HIS A 165 4.383 -2.270 -2.339 1.00 34.12 H new ATOM 0 HB3 HIS A 165 4.173 -2.451 -0.609 1.00 34.12 H new ATOM 0 HD2 HIS A 165 6.521 -2.235 0.913 1.00 40.33 H new ATOM 0 HE1 HIS A 165 9.091 -1.352 -2.344 1.00 40.24 H new ATOM 0 HE2 HIS A 165 8.901 -1.450 0.192 1.00 10.22 H new ATOM 1218 N THR A 166 2.370 -5.071 -1.368 1.00 43.32 N ATOM 1219 CA THR A 166 1.028 -5.431 -1.806 1.00 21.01 C ATOM 1220 C THR A 166 -0.031 -4.681 -1.004 1.00 63.42 C ATOM 1221 O THR A 166 -0.269 -4.987 0.165 1.00 51.43 O ATOM 1222 CB THR A 166 0.781 -6.945 -1.672 1.00 72.24 C ATOM 1223 OG1 THR A 166 1.869 -7.560 -0.974 1.00 43.42 O ATOM 1224 CG2 THR A 166 0.622 -7.590 -3.041 1.00 75.02 C ATOM 0 H THR A 166 2.536 -5.199 -0.370 1.00 43.32 H new ATOM 0 HA THR A 166 0.951 -5.150 -2.856 1.00 21.01 H new ATOM 0 HB THR A 166 -0.140 -7.091 -1.108 1.00 72.24 H new ATOM 0 HG1 THR A 166 1.964 -7.149 -0.089 1.00 43.42 H new ATOM 0 HG21 THR A 166 0.448 -8.659 -2.921 1.00 75.02 H new ATOM 0 HG22 THR A 166 -0.225 -7.141 -3.559 1.00 75.02 H new ATOM 0 HG23 THR A 166 1.529 -7.433 -3.625 1.00 75.02 H new ATOM 1232 N LEU A 167 -0.663 -3.702 -1.639 1.00 74.05 N ATOM 1233 CA LEU A 167 -1.698 -2.909 -0.985 1.00 13.51 C ATOM 1234 C LEU A 167 -2.924 -3.763 -0.676 1.00 41.01 C ATOM 1235 O LEU A 167 -3.366 -4.556 -1.509 1.00 12.41 O ATOM 1236 CB LEU A 167 -2.097 -1.725 -1.869 1.00 21.24 C ATOM 1237 CG LEU A 167 -3.316 -0.925 -1.409 1.00 32.41 C ATOM 1238 CD1 LEU A 167 -3.079 -0.337 -0.027 1.00 31.23 C ATOM 1239 CD2 LEU A 167 -3.641 0.174 -2.410 1.00 11.22 C ATOM 0 H LEU A 167 -0.477 -3.437 -2.606 1.00 74.05 H new ATOM 0 HA LEU A 167 -1.293 -2.533 -0.045 1.00 13.51 H new ATOM 0 HB2 LEU A 167 -1.247 -1.046 -1.938 1.00 21.24 H new ATOM 0 HB3 LEU A 167 -2.290 -2.097 -2.875 1.00 21.24 H new ATOM 0 HG LEU A 167 -4.169 -1.601 -1.352 1.00 32.41 H new ATOM 0 HD11 LEU A 167 -3.957 0.229 0.283 1.00 31.23 H new ATOM 0 HD12 LEU A 167 -2.896 -1.142 0.685 1.00 31.23 H new ATOM 0 HD13 LEU A 167 -2.213 0.325 -0.057 1.00 31.23 H new ATOM 0 HD21 LEU A 167 -4.511 0.733 -2.067 1.00 11.22 H new ATOM 0 HD22 LEU A 167 -2.789 0.848 -2.500 1.00 11.22 H new ATOM 0 HD23 LEU A 167 -3.856 -0.271 -3.382 1.00 11.22 H new ATOM 1251 N ILE A 168 -3.469 -3.594 0.523 1.00 14.41 N ATOM 1252 CA ILE A 168 -4.646 -4.346 0.941 1.00 60.14 C ATOM 1253 C ILE A 168 -5.646 -3.448 1.662 1.00 22.21 C ATOM 1254 O ILE A 168 -5.303 -2.773 2.633 1.00 25.53 O ATOM 1255 CB ILE A 168 -4.267 -5.518 1.863 1.00 33.34 C ATOM 1256 CG1 ILE A 168 -3.223 -6.410 1.188 1.00 41.51 C ATOM 1257 CG2 ILE A 168 -5.503 -6.325 2.230 1.00 71.50 C ATOM 1258 CD1 ILE A 168 -3.014 -7.734 1.890 1.00 51.22 C ATOM 0 H ILE A 168 -3.114 -2.943 1.223 1.00 14.41 H new ATOM 0 HA ILE A 168 -5.105 -4.742 0.035 1.00 60.14 H new ATOM 0 HB ILE A 168 -3.835 -5.115 2.779 1.00 33.34 H new ATOM 0 HG12 ILE A 168 -3.529 -6.598 0.159 1.00 41.51 H new ATOM 0 HG13 ILE A 168 -2.273 -5.876 1.146 1.00 41.51 H new ATOM 0 HG21 ILE A 168 -5.218 -7.150 2.882 1.00 71.50 H new ATOM 0 HG22 ILE A 168 -6.216 -5.683 2.747 1.00 71.50 H new ATOM 0 HG23 ILE A 168 -5.962 -6.721 1.324 1.00 71.50 H new ATOM 0 HD11 ILE A 168 -2.261 -8.314 1.356 1.00 51.22 H new ATOM 0 HD12 ILE A 168 -2.678 -7.555 2.911 1.00 51.22 H new ATOM 0 HD13 ILE A 168 -3.952 -8.288 1.909 1.00 51.22 H new ATOM 1270 N VAL A 169 -6.885 -3.445 1.182 1.00 34.10 N ATOM 1271 CA VAL A 169 -7.937 -2.633 1.783 1.00 43.00 C ATOM 1272 C VAL A 169 -9.116 -3.495 2.218 1.00 12.05 C ATOM 1273 O VAL A 169 -9.740 -4.171 1.400 1.00 23.22 O ATOM 1274 CB VAL A 169 -8.438 -1.553 0.806 1.00 5.31 C ATOM 1275 CG1 VAL A 169 -9.541 -0.725 1.447 1.00 2.13 C ATOM 1276 CG2 VAL A 169 -7.286 -0.665 0.358 1.00 71.30 C ATOM 0 H VAL A 169 -7.186 -3.996 0.378 1.00 34.10 H new ATOM 0 HA VAL A 169 -7.503 -2.149 2.658 1.00 43.00 H new ATOM 0 HB VAL A 169 -8.851 -2.046 -0.074 1.00 5.31 H new ATOM 0 HG11 VAL A 169 -9.883 0.033 0.742 1.00 2.13 H new ATOM 0 HG12 VAL A 169 -10.375 -1.374 1.714 1.00 2.13 H new ATOM 0 HG13 VAL A 169 -9.157 -0.240 2.344 1.00 2.13 H new ATOM 0 HG21 VAL A 169 -7.658 0.093 -0.332 1.00 71.30 H new ATOM 0 HG22 VAL A 169 -6.843 -0.178 1.227 1.00 71.30 H new ATOM 0 HG23 VAL A 169 -6.532 -1.272 -0.142 1.00 71.30 H new ATOM 1286 N ASP A 170 -9.417 -3.467 3.513 1.00 43.45 N ATOM 1287 CA ASP A 170 -10.522 -4.244 4.058 1.00 72.43 C ATOM 1288 C ASP A 170 -10.266 -5.740 3.896 1.00 34.05 C ATOM 1289 O ASP A 170 -11.180 -6.507 3.594 1.00 14.12 O ATOM 1290 CB ASP A 170 -11.832 -3.862 3.367 1.00 13.34 C ATOM 1291 CG ASP A 170 -12.986 -3.739 4.343 1.00 32.21 C ATOM 1292 OD1 ASP A 170 -12.844 -3.003 5.342 1.00 71.34 O ATOM 1293 OD2 ASP A 170 -14.033 -4.379 4.107 1.00 44.30 O ATOM 0 H ASP A 170 -8.910 -2.914 4.204 1.00 43.45 H new ATOM 0 HA ASP A 170 -10.602 -4.019 5.122 1.00 72.43 H new ATOM 0 HB2 ASP A 170 -11.701 -2.915 2.843 1.00 13.34 H new ATOM 0 HB3 ASP A 170 -12.075 -4.612 2.614 1.00 13.34 H new ATOM 1298 N ASN A 171 -9.018 -6.147 4.101 1.00 64.14 N ATOM 1299 CA ASN A 171 -8.642 -7.550 3.976 1.00 4.02 C ATOM 1300 C ASN A 171 -8.847 -8.043 2.546 1.00 23.44 C ATOM 1301 O ASN A 171 -9.351 -9.145 2.326 1.00 12.00 O ATOM 1302 CB ASN A 171 -9.459 -8.407 4.945 1.00 53.33 C ATOM 1303 CG ASN A 171 -8.637 -9.518 5.569 1.00 32.11 C ATOM 1304 OD1 ASN A 171 -8.819 -10.693 5.253 1.00 75.42 O ATOM 1305 ND2 ASN A 171 -7.726 -9.149 6.462 1.00 23.21 N ATOM 0 H ASN A 171 -8.250 -5.525 4.354 1.00 64.14 H new ATOM 0 HA ASN A 171 -7.585 -7.640 4.225 1.00 4.02 H new ATOM 0 HB2 ASN A 171 -9.865 -7.773 5.733 1.00 53.33 H new ATOM 0 HB3 ASN A 171 -10.308 -8.840 4.416 1.00 53.33 H new ATOM 0 HD21 ASN A 171 -7.143 -9.852 6.916 1.00 23.21 H new ATOM 0 HD22 ASN A 171 -7.609 -8.163 6.694 1.00 23.21 H new ATOM 1312 N ARG A 172 -8.450 -7.223 1.580 1.00 2.44 N ATOM 1313 CA ARG A 172 -8.590 -7.575 0.173 1.00 42.32 C ATOM 1314 C ARG A 172 -7.352 -7.161 -0.617 1.00 40.43 C ATOM 1315 O ARG A 172 -6.927 -6.008 -0.563 1.00 42.50 O ATOM 1316 CB ARG A 172 -9.833 -6.908 -0.420 1.00 62.14 C ATOM 1317 CG ARG A 172 -11.003 -7.860 -0.607 1.00 34.14 C ATOM 1318 CD ARG A 172 -11.144 -8.293 -2.057 1.00 34.52 C ATOM 1319 NE ARG A 172 -12.316 -9.141 -2.263 1.00 44.04 N ATOM 1320 CZ ARG A 172 -12.581 -9.760 -3.408 1.00 50.13 C ATOM 1321 NH1 ARG A 172 -11.765 -9.626 -4.444 1.00 65.12 N ATOM 1322 NH2 ARG A 172 -13.667 -10.516 -3.519 1.00 60.02 N ATOM 0 H ARG A 172 -8.028 -6.309 1.746 1.00 2.44 H new ATOM 0 HA ARG A 172 -8.699 -8.657 0.104 1.00 42.32 H new ATOM 0 HB2 ARG A 172 -10.141 -6.090 0.231 1.00 62.14 H new ATOM 0 HB3 ARG A 172 -9.575 -6.469 -1.384 1.00 62.14 H new ATOM 0 HG2 ARG A 172 -10.863 -8.738 0.024 1.00 34.14 H new ATOM 0 HG3 ARG A 172 -11.923 -7.376 -0.280 1.00 34.14 H new ATOM 0 HD2 ARG A 172 -11.218 -7.411 -2.693 1.00 34.52 H new ATOM 0 HD3 ARG A 172 -10.248 -8.832 -2.363 1.00 34.52 H new ATOM 0 HE ARG A 172 -12.965 -9.264 -1.486 1.00 44.04 H new ATOM 0 HH11 ARG A 172 -10.930 -9.046 -4.364 1.00 65.12 H new ATOM 0 HH12 ARG A 172 -11.972 -10.103 -5.321 1.00 65.12 H new ATOM 0 HH21 ARG A 172 -14.298 -10.622 -2.725 1.00 60.02 H new ATOM 0 HH22 ARG A 172 -13.870 -10.991 -4.398 1.00 60.02 H new ATOM 1336 N GLU A 173 -6.779 -8.111 -1.350 1.00 10.42 N ATOM 1337 CA GLU A 173 -5.589 -7.844 -2.150 1.00 32.21 C ATOM 1338 C GLU A 173 -5.879 -6.801 -3.225 1.00 64.42 C ATOM 1339 O GLU A 173 -6.986 -6.738 -3.761 1.00 60.30 O ATOM 1340 CB GLU A 173 -5.083 -9.134 -2.797 1.00 14.20 C ATOM 1341 CG GLU A 173 -3.576 -9.169 -2.989 1.00 44.20 C ATOM 1342 CD GLU A 173 -3.152 -10.097 -4.111 1.00 42.14 C ATOM 1343 OE1 GLU A 173 -3.754 -10.022 -5.202 1.00 70.50 O ATOM 1344 OE2 GLU A 173 -2.217 -10.896 -3.897 1.00 5.03 O ATOM 0 H GLU A 173 -7.119 -9.071 -1.406 1.00 10.42 H new ATOM 0 HA GLU A 173 -4.817 -7.452 -1.488 1.00 32.21 H new ATOM 0 HB2 GLU A 173 -5.382 -9.981 -2.180 1.00 14.20 H new ATOM 0 HB3 GLU A 173 -5.567 -9.259 -3.766 1.00 14.20 H new ATOM 0 HG2 GLU A 173 -3.217 -8.162 -3.200 1.00 44.20 H new ATOM 0 HG3 GLU A 173 -3.103 -9.488 -2.060 1.00 44.20 H new ATOM 1351 N ILE A 174 -4.877 -5.985 -3.535 1.00 51.41 N ATOM 1352 CA ILE A 174 -5.024 -4.946 -4.547 1.00 11.44 C ATOM 1353 C ILE A 174 -4.030 -5.144 -5.687 1.00 33.21 C ATOM 1354 O ILE A 174 -2.833 -5.337 -5.474 1.00 13.15 O ATOM 1355 CB ILE A 174 -4.824 -3.542 -3.945 1.00 1.02 C ATOM 1356 CG1 ILE A 174 -5.883 -3.267 -2.875 1.00 21.41 C ATOM 1357 CG2 ILE A 174 -4.880 -2.485 -5.037 1.00 74.11 C ATOM 1358 CD1 ILE A 174 -6.782 -2.095 -3.201 1.00 73.33 C ATOM 0 H ILE A 174 -3.955 -6.023 -3.100 1.00 51.41 H new ATOM 0 HA ILE A 174 -6.039 -5.025 -4.935 1.00 11.44 H new ATOM 0 HB ILE A 174 -3.841 -3.500 -3.476 1.00 1.02 H new ATOM 0 HG12 ILE A 174 -6.496 -4.159 -2.744 1.00 21.41 H new ATOM 0 HG13 ILE A 174 -5.386 -3.079 -1.923 1.00 21.41 H new ATOM 0 HG21 ILE A 174 -4.737 -1.498 -4.596 1.00 74.11 H new ATOM 0 HG22 ILE A 174 -4.093 -2.674 -5.767 1.00 74.11 H new ATOM 0 HG23 ILE A 174 -5.850 -2.524 -5.532 1.00 74.11 H new ATOM 0 HD11 ILE A 174 -7.508 -1.959 -2.399 1.00 73.33 H new ATOM 0 HD12 ILE A 174 -6.180 -1.192 -3.303 1.00 73.33 H new ATOM 0 HD13 ILE A 174 -7.307 -2.288 -4.136 1.00 73.33 H new ATOM 1370 N PRO A 175 -4.537 -5.094 -6.928 1.00 1.11 N ATOM 1371 CA PRO A 175 -3.711 -5.264 -8.127 1.00 22.14 C ATOM 1372 C PRO A 175 -2.773 -4.083 -8.356 1.00 72.31 C ATOM 1373 O PRO A 175 -3.206 -2.932 -8.381 1.00 21.11 O ATOM 1374 CB PRO A 175 -4.739 -5.357 -9.256 1.00 54.45 C ATOM 1375 CG PRO A 175 -5.934 -4.631 -8.741 1.00 14.14 C ATOM 1376 CD PRO A 175 -5.954 -4.868 -7.256 1.00 72.34 C ATOM 0 HA PRO A 175 -3.059 -6.135 -8.053 1.00 22.14 H new ATOM 0 HB2 PRO A 175 -4.363 -4.901 -10.172 1.00 54.45 H new ATOM 0 HB3 PRO A 175 -4.977 -6.395 -9.490 1.00 54.45 H new ATOM 0 HG2 PRO A 175 -5.871 -3.566 -8.965 1.00 14.14 H new ATOM 0 HG3 PRO A 175 -6.847 -5.001 -9.208 1.00 14.14 H new ATOM 0 HD2 PRO A 175 -6.359 -4.011 -6.718 1.00 72.34 H new ATOM 0 HD3 PRO A 175 -6.569 -5.729 -6.995 1.00 72.34 H new ATOM 1384 N GLU A 176 -1.488 -4.378 -8.525 1.00 12.02 N ATOM 1385 CA GLU A 176 -0.489 -3.340 -8.752 1.00 13.44 C ATOM 1386 C GLU A 176 -0.267 -3.116 -10.244 1.00 64.44 C ATOM 1387 O GLU A 176 0.009 -4.057 -10.991 1.00 21.44 O ATOM 1388 CB GLU A 176 0.832 -3.716 -8.078 1.00 53.44 C ATOM 1389 CG GLU A 176 1.757 -2.531 -7.850 1.00 34.21 C ATOM 1390 CD GLU A 176 3.204 -2.852 -8.169 1.00 23.14 C ATOM 1391 OE1 GLU A 176 3.808 -3.661 -7.434 1.00 3.43 O ATOM 1392 OE2 GLU A 176 3.732 -2.294 -9.154 1.00 4.03 O ATOM 0 H GLU A 176 -1.114 -5.327 -8.509 1.00 12.02 H new ATOM 0 HA GLU A 176 -0.860 -2.413 -8.315 1.00 13.44 H new ATOM 0 HB2 GLU A 176 0.619 -4.190 -7.120 1.00 53.44 H new ATOM 0 HB3 GLU A 176 1.346 -4.455 -8.692 1.00 53.44 H new ATOM 0 HG2 GLU A 176 1.429 -1.695 -8.468 1.00 34.21 H new ATOM 0 HG3 GLU A 176 1.680 -2.209 -6.811 1.00 34.21 H new