USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 471 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 155 GLN : amide:sc= -1.76 K(o=-6.2,f=-14!) USER MOD Set 1.2: A 198 CYS SG : rot 173:sc= -0.143 USER MOD Set 1.3: A 218 CYS SG : rot 149:sc= -4.28! USER MOD Single : A 149 SER OG : rot 137:sc= -3.72! USER MOD Single : A 164 TYR OH : rot -158:sc= -1.35 USER MOD Single : A 169 TYR OH : rot 180:sc= -0.266 USER MOD Single : A 170 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.066) USER MOD Single : A 171 THR OG1 : rot -120:sc= -0.746 USER MOD Single : A 186 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.0299 K(o=-0.03,f=-1.2) USER MOD Single : A 193 ASN : amide:sc= -3.34! C(o=-3.3!,f=-6.2!) USER MOD Single : A 195 ASN : amide:sc= -2.85! C(o=-2.8!,f=-6.3!) USER MOD Single : A 199 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00297) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 MET CE :methyl -150:sc= -4.18! (180deg=-9.12!) USER MOD Single : A 215 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc=-0.00341 X(o=-0.0034,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.641 4.646 6.782 1.00 0.00 N ATOM 16 CA SER A 149 -12.392 4.987 7.440 1.00 0.00 C ATOM 17 C SER A 149 -11.209 4.521 6.591 1.00 0.00 C ATOM 18 O SER A 149 -11.397 3.926 5.530 1.00 0.00 O ATOM 19 CB SER A 149 -12.318 4.368 8.839 1.00 0.00 C ATOM 20 OG SER A 149 -11.259 4.926 9.613 1.00 0.00 O ATOM 0 HA SER A 149 -12.348 6.071 7.549 1.00 0.00 H new ATOM 0 HB2 SER A 149 -13.265 4.523 9.355 1.00 0.00 H new ATOM 0 HB3 SER A 149 -12.175 3.291 8.752 1.00 0.00 H new ATOM 0 HG SER A 149 -11.575 5.098 10.524 1.00 0.00 H new ATOM 26 N ILE A 150 -10.014 4.806 7.088 1.00 0.00 N ATOM 27 CA ILE A 150 -8.801 4.423 6.387 1.00 0.00 C ATOM 28 C ILE A 150 -8.442 2.979 6.749 1.00 0.00 C ATOM 29 O ILE A 150 -7.717 2.313 6.012 1.00 0.00 O ATOM 30 CB ILE A 150 -7.679 5.424 6.670 1.00 0.00 C ATOM 31 CG1 ILE A 150 -8.183 6.863 6.541 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.467 5.159 5.775 1.00 0.00 C ATOM 33 CD1 ILE A 150 -8.117 7.338 5.087 1.00 0.00 C ATOM 0 H ILE A 150 -9.860 5.298 7.968 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.959 4.453 5.309 1.00 0.00 H new ATOM 0 HB ILE A 150 -7.353 5.288 7.701 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -9.210 6.927 6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.583 7.520 7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.685 5.885 5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -6.091 4.153 5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.760 5.250 4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.481 8.363 5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -7.086 7.296 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.738 6.693 4.465 1.00 0.00 H new ATOM 45 N LEU A 151 -8.967 2.539 7.883 1.00 0.00 N ATOM 46 CA LEU A 151 -8.711 1.188 8.351 1.00 0.00 C ATOM 47 C LEU A 151 -9.278 0.188 7.342 1.00 0.00 C ATOM 48 O LEU A 151 -8.701 -0.877 7.128 1.00 0.00 O ATOM 49 CB LEU A 151 -9.251 1.002 9.771 1.00 0.00 C ATOM 50 CG LEU A 151 -10.723 1.363 9.982 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.507 0.167 10.527 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.861 2.596 10.877 1.00 0.00 C ATOM 0 H LEU A 151 -9.569 3.094 8.491 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.639 1.003 8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -9.108 -0.039 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.649 1.606 10.449 1.00 0.00 H new ATOM 0 HG LEU A 151 -11.156 1.618 9.015 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.550 0.450 10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -11.448 -0.660 9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -11.082 -0.142 11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.917 2.832 11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.408 2.394 11.848 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.357 3.442 10.411 1.00 0.00 H new ATOM 64 N ASP A 152 -10.400 0.566 6.748 1.00 0.00 N ATOM 65 CA ASP A 152 -11.051 -0.286 5.766 1.00 0.00 C ATOM 66 C ASP A 152 -10.141 -0.435 4.545 1.00 0.00 C ATOM 67 O ASP A 152 -10.267 -1.395 3.786 1.00 0.00 O ATOM 68 CB ASP A 152 -12.373 0.325 5.299 1.00 0.00 C ATOM 69 CG ASP A 152 -13.127 -0.492 4.248 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.293 -1.713 4.387 1.00 0.00 O ATOM 71 OD2 ASP A 152 -13.560 0.184 3.238 1.00 0.00 O ATOM 0 H ASP A 152 -10.875 1.450 6.927 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.245 -1.252 6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -13.020 0.460 6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.174 1.317 4.893 1.00 0.00 H new ATOM 77 N ILE A 153 -9.246 0.531 4.392 1.00 0.00 N ATOM 78 CA ILE A 153 -8.316 0.518 3.275 1.00 0.00 C ATOM 79 C ILE A 153 -7.147 -0.416 3.600 1.00 0.00 C ATOM 80 O ILE A 153 -6.197 -0.015 4.272 1.00 0.00 O ATOM 81 CB ILE A 153 -7.885 1.942 2.921 1.00 0.00 C ATOM 82 CG1 ILE A 153 -9.059 2.746 2.358 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.687 1.933 1.970 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.250 2.723 3.317 1.00 0.00 C ATOM 0 H ILE A 153 -9.145 1.327 5.022 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.800 0.124 2.381 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.564 2.439 3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.748 3.776 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.356 2.335 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.401 2.958 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.849 1.423 2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -6.956 1.411 1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -11.070 3.302 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.574 1.694 3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.956 3.157 4.273 1.00 0.00 H new ATOM 96 N ARG A 154 -7.255 -1.641 3.109 1.00 0.00 N ATOM 97 CA ARG A 154 -6.221 -2.634 3.339 1.00 0.00 C ATOM 98 C ARG A 154 -5.736 -3.214 2.008 1.00 0.00 C ATOM 99 O ARG A 154 -6.363 -3.004 0.971 1.00 0.00 O ATOM 100 CB ARG A 154 -6.733 -3.769 4.226 1.00 0.00 C ATOM 101 CG ARG A 154 -7.942 -4.459 3.590 1.00 0.00 C ATOM 102 CD ARG A 154 -8.366 -5.684 4.404 1.00 0.00 C ATOM 103 NE ARG A 154 -9.625 -6.239 3.862 1.00 0.00 N ATOM 104 CZ ARG A 154 -10.121 -7.452 4.193 1.00 0.00 C ATOM 105 NH1 ARG A 154 -9.468 -8.244 5.069 1.00 0.00 N ATOM 106 NH2 ARG A 154 -11.256 -7.849 3.648 1.00 0.00 N ATOM 0 H ARG A 154 -8.044 -1.969 2.552 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.393 -2.138 3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -5.938 -4.497 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.008 -3.375 5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -8.773 -3.757 3.524 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -7.698 -4.761 2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.582 -6.441 4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -8.501 -5.407 5.450 1.00 0.00 H new ATOM 0 HE ARG A 154 -10.151 -5.672 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -8.593 -7.929 5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -9.850 -9.158 5.313 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -11.744 -7.243 2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -11.645 -8.761 3.887 1.00 0.00 H new ATOM 120 N GLN A 155 -4.626 -3.932 2.081 1.00 0.00 N ATOM 121 CA GLN A 155 -4.051 -4.544 0.896 1.00 0.00 C ATOM 122 C GLN A 155 -4.252 -6.060 0.930 1.00 0.00 C ATOM 123 O GLN A 155 -3.543 -6.769 1.643 1.00 0.00 O ATOM 124 CB GLN A 155 -2.568 -4.192 0.760 1.00 0.00 C ATOM 125 CG GLN A 155 -1.923 -4.966 -0.390 1.00 0.00 C ATOM 126 CD GLN A 155 -0.660 -5.693 0.078 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.113 -5.422 1.133 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.229 -6.627 -0.766 1.00 0.00 N ATOM 0 H GLN A 155 -4.109 -4.104 2.943 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.567 -4.148 0.021 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.459 -3.121 0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -2.050 -4.420 1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.634 -5.688 -0.792 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -1.673 -4.280 -1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -0.735 -6.803 -1.634 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.608 -7.167 -0.545 1.00 0.00 H new ATOM 196 N PRO A 160 -5.498 -5.668 -5.910 1.00 0.00 N ATOM 197 CA PRO A 160 -4.282 -5.063 -6.425 1.00 0.00 C ATOM 198 C PRO A 160 -3.849 -3.878 -5.559 1.00 0.00 C ATOM 199 O PRO A 160 -4.674 -3.270 -4.877 1.00 0.00 O ATOM 200 CB PRO A 160 -4.613 -4.665 -7.854 1.00 0.00 C ATOM 201 CG PRO A 160 -6.131 -4.636 -7.936 1.00 0.00 C ATOM 202 CD PRO A 160 -6.679 -5.340 -6.706 1.00 0.00 C ATOM 0 HA PRO A 160 -3.432 -5.745 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.190 -3.690 -8.096 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.197 -5.379 -8.565 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.491 -3.608 -7.979 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.474 -5.132 -8.844 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.363 -4.696 -6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.235 -6.237 -6.978 1.00 0.00 H new ATOM 210 N PHE A 161 -2.559 -3.585 -5.615 1.00 0.00 N ATOM 211 CA PHE A 161 -2.007 -2.484 -4.844 1.00 0.00 C ATOM 212 C PHE A 161 -2.540 -1.142 -5.349 1.00 0.00 C ATOM 213 O PHE A 161 -2.744 -0.215 -4.564 1.00 0.00 O ATOM 214 CB PHE A 161 -0.490 -2.521 -5.031 1.00 0.00 C ATOM 215 CG PHE A 161 0.273 -1.546 -4.134 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.185 -1.655 -2.782 1.00 0.00 C ATOM 217 CD2 PHE A 161 1.040 -0.569 -4.689 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.893 -0.749 -1.948 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.748 0.338 -3.856 1.00 0.00 C ATOM 220 CZ PHE A 161 1.659 0.228 -2.503 1.00 0.00 C ATOM 0 H PHE A 161 -1.879 -4.091 -6.183 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.288 -2.586 -3.796 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.135 -3.533 -4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.257 -2.298 -6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.424 -2.431 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 161 1.111 -0.483 -5.763 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.823 -0.836 -0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.356 1.114 -4.296 1.00 0.00 H new ATOM 0 HZ PHE A 161 2.197 0.917 -1.869 1.00 0.00 H new ATOM 230 N ARG A 162 -2.747 -1.078 -6.655 1.00 0.00 N ATOM 231 CA ARG A 162 -3.251 0.136 -7.275 1.00 0.00 C ATOM 232 C ARG A 162 -4.627 0.490 -6.708 1.00 0.00 C ATOM 233 O ARG A 162 -4.884 1.643 -6.365 1.00 0.00 O ATOM 234 CB ARG A 162 -3.358 -0.023 -8.792 1.00 0.00 C ATOM 235 CG ARG A 162 -2.917 1.254 -9.510 1.00 0.00 C ATOM 236 CD ARG A 162 -3.449 1.290 -10.943 1.00 0.00 C ATOM 237 NE ARG A 162 -2.574 2.130 -11.790 1.00 0.00 N ATOM 238 CZ ARG A 162 -2.952 2.676 -12.966 1.00 0.00 C ATOM 239 NH1 ARG A 162 -4.197 2.473 -13.444 1.00 0.00 N ATOM 240 NH2 ARG A 162 -2.086 3.410 -13.639 1.00 0.00 N ATOM 0 H ARG A 162 -2.575 -1.847 -7.302 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.546 0.937 -7.054 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.740 -0.860 -9.118 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.386 -0.261 -9.065 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.277 2.125 -8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.829 1.312 -9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.497 0.279 -11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.465 1.685 -10.952 1.00 0.00 H new ATOM 0 HE ARG A 162 -1.624 2.308 -11.465 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.859 1.904 -12.917 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -4.476 2.888 -14.333 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -1.147 3.558 -13.269 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -2.356 3.829 -14.529 1.00 0.00 H new ATOM 254 N ASP A 163 -5.476 -0.524 -6.625 1.00 0.00 N ATOM 255 CA ASP A 163 -6.820 -0.334 -6.105 1.00 0.00 C ATOM 256 C ASP A 163 -6.744 -0.010 -4.611 1.00 0.00 C ATOM 257 O ASP A 163 -7.563 0.747 -4.094 1.00 0.00 O ATOM 258 CB ASP A 163 -7.659 -1.603 -6.272 1.00 0.00 C ATOM 259 CG ASP A 163 -8.414 -1.710 -7.598 1.00 0.00 C ATOM 260 OD1 ASP A 163 -9.622 -1.990 -7.624 1.00 0.00 O ATOM 261 OD2 ASP A 163 -7.704 -1.485 -8.650 1.00 0.00 O ATOM 0 H ASP A 163 -5.260 -1.479 -6.909 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.284 0.481 -6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.004 -2.469 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.380 -1.654 -5.456 1.00 0.00 H new ATOM 267 N TYR A 164 -5.752 -0.601 -3.961 1.00 0.00 N ATOM 268 CA TYR A 164 -5.558 -0.385 -2.537 1.00 0.00 C ATOM 269 C TYR A 164 -5.131 1.055 -2.255 1.00 0.00 C ATOM 270 O TYR A 164 -5.609 1.674 -1.305 1.00 0.00 O ATOM 271 CB TYR A 164 -4.431 -1.330 -2.117 1.00 0.00 C ATOM 272 CG TYR A 164 -3.925 -1.100 -0.692 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.825 -0.968 0.346 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.569 -1.027 -0.444 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.348 -0.751 1.688 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.093 -0.811 0.898 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.006 -0.684 1.898 1.00 0.00 C ATOM 278 OH TYR A 164 -2.557 -0.479 3.165 1.00 0.00 O ATOM 0 H TYR A 164 -5.074 -1.229 -4.394 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.483 -0.569 -1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.781 -2.358 -2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.598 -1.216 -2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.886 -1.027 0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -1.865 -1.132 -1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.041 -0.644 2.509 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.035 -0.751 1.106 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.650 -0.109 3.135 1.00 0.00 H new ATOM 288 N VAL A 165 -4.235 1.550 -3.096 1.00 0.00 N ATOM 289 CA VAL A 165 -3.739 2.908 -2.949 1.00 0.00 C ATOM 290 C VAL A 165 -4.874 3.894 -3.226 1.00 0.00 C ATOM 291 O VAL A 165 -5.033 4.880 -2.507 1.00 0.00 O ATOM 292 CB VAL A 165 -2.526 3.122 -3.857 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.336 4.607 -4.177 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.262 2.530 -3.233 1.00 0.00 C ATOM 0 H VAL A 165 -3.839 1.035 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.400 3.083 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.713 2.598 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.467 4.732 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.223 4.986 -4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.182 5.162 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.415 2.696 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.070 3.012 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.399 1.459 -3.080 1.00 0.00 H new ATOM 304 N ASP A 166 -5.635 3.597 -4.269 1.00 0.00 N ATOM 305 CA ASP A 166 -6.751 4.445 -4.648 1.00 0.00 C ATOM 306 C ASP A 166 -7.718 4.567 -3.468 1.00 0.00 C ATOM 307 O ASP A 166 -8.188 5.661 -3.158 1.00 0.00 O ATOM 308 CB ASP A 166 -7.519 3.848 -5.830 1.00 0.00 C ATOM 309 CG ASP A 166 -8.384 4.844 -6.607 1.00 0.00 C ATOM 310 OD1 ASP A 166 -9.598 4.650 -6.761 1.00 0.00 O ATOM 311 OD2 ASP A 166 -7.751 5.867 -7.073 1.00 0.00 O ATOM 0 H ASP A 166 -5.500 2.780 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.353 5.420 -4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.804 3.396 -6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.157 3.045 -5.461 1.00 0.00 H new ATOM 317 N ARG A 167 -7.986 3.429 -2.844 1.00 0.00 N ATOM 318 CA ARG A 167 -8.887 3.395 -1.706 1.00 0.00 C ATOM 319 C ARG A 167 -8.309 4.207 -0.545 1.00 0.00 C ATOM 320 O ARG A 167 -9.022 4.979 0.095 1.00 0.00 O ATOM 321 CB ARG A 167 -9.134 1.959 -1.242 1.00 0.00 C ATOM 322 CG ARG A 167 -10.615 1.726 -0.944 1.00 0.00 C ATOM 323 CD ARG A 167 -11.091 0.395 -1.534 1.00 0.00 C ATOM 324 NE ARG A 167 -12.208 0.630 -2.475 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.055 1.104 -3.730 1.00 0.00 C ATOM 326 NH1 ARG A 167 -10.825 1.399 -4.205 1.00 0.00 N ATOM 327 NH2 ARG A 167 -13.124 1.275 -4.485 1.00 0.00 N ATOM 0 H ARG A 167 -7.595 2.524 -3.106 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.835 3.831 -2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.800 1.262 -2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.543 1.755 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.778 1.729 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.206 2.543 -1.358 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.268 -0.099 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.412 -0.273 -0.735 1.00 0.00 H new ATOM 0 HE ARG A 167 -13.154 0.421 -2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -10.004 1.264 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -10.717 1.757 -5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -14.049 1.050 -4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -13.025 1.632 -5.435 1.00 0.00 H new ATOM 341 N PHE A 168 -7.020 4.006 -0.309 1.00 0.00 N ATOM 342 CA PHE A 168 -6.337 4.710 0.763 1.00 0.00 C ATOM 343 C PHE A 168 -6.435 6.226 0.575 1.00 0.00 C ATOM 344 O PHE A 168 -6.752 6.952 1.515 1.00 0.00 O ATOM 345 CB PHE A 168 -4.866 4.295 0.704 1.00 0.00 C ATOM 346 CG PHE A 168 -4.015 4.854 1.847 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.473 6.097 1.746 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.802 4.109 2.964 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.683 6.617 2.805 1.00 0.00 C ATOM 350 CE2 PHE A 168 -3.013 4.628 4.024 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.470 5.871 3.923 1.00 0.00 C ATOM 0 H PHE A 168 -6.431 3.366 -0.842 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.793 4.460 1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.805 3.207 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.444 4.625 -0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.644 6.689 0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.233 3.122 3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.252 7.604 2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.844 4.036 4.911 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.870 6.266 4.730 1.00 0.00 H new ATOM 361 N TYR A 169 -6.158 6.657 -0.647 1.00 0.00 N ATOM 362 CA TYR A 169 -6.211 8.072 -0.970 1.00 0.00 C ATOM 363 C TYR A 169 -7.657 8.552 -1.094 1.00 0.00 C ATOM 364 O TYR A 169 -7.931 9.747 -0.980 1.00 0.00 O ATOM 365 CB TYR A 169 -5.521 8.220 -2.328 1.00 0.00 C ATOM 366 CG TYR A 169 -3.992 8.198 -2.254 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.349 7.182 -1.579 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.258 9.196 -2.862 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.910 7.161 -1.510 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.819 9.175 -2.794 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.217 8.159 -2.120 1.00 0.00 C ATOM 372 OH TYR A 169 0.143 8.139 -2.054 1.00 0.00 O ATOM 0 H TYR A 169 -5.896 6.051 -1.425 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.731 8.662 -0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.855 7.415 -2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.839 9.157 -2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.924 6.402 -1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.762 9.993 -3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.394 6.371 -0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.232 9.948 -3.267 1.00 0.00 H new ATOM 0 HH TYR A 169 0.505 8.912 -2.535 1.00 0.00 H new ATOM 382 N LYS A 170 -8.548 7.598 -1.323 1.00 0.00 N ATOM 383 CA LYS A 170 -9.960 7.907 -1.462 1.00 0.00 C ATOM 384 C LYS A 170 -10.536 8.273 -0.092 1.00 0.00 C ATOM 385 O LYS A 170 -11.270 9.251 0.036 1.00 0.00 O ATOM 386 CB LYS A 170 -10.696 6.758 -2.152 1.00 0.00 C ATOM 387 CG LYS A 170 -10.978 7.087 -3.619 1.00 0.00 C ATOM 388 CD LYS A 170 -11.511 5.862 -4.363 1.00 0.00 C ATOM 389 CE LYS A 170 -12.754 6.217 -5.183 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.422 7.224 -6.217 1.00 0.00 N ATOM 0 H LYS A 170 -8.318 6.609 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 170 -10.097 8.775 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.098 5.849 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.634 6.560 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.703 7.898 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -10.065 7.439 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.737 5.467 -5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -11.754 5.075 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -13.154 5.320 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -13.532 6.605 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -13.211 7.305 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -12.258 8.146 -5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -11.563 6.930 -6.725 1.00 0.00 H new ATOM 404 N THR A 171 -10.179 7.467 0.897 1.00 0.00 N ATOM 405 CA THR A 171 -10.649 7.693 2.253 1.00 0.00 C ATOM 406 C THR A 171 -9.918 8.881 2.880 1.00 0.00 C ATOM 407 O THR A 171 -10.517 9.665 3.615 1.00 0.00 O ATOM 408 CB THR A 171 -10.478 6.390 3.037 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.435 5.507 2.458 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.923 6.520 4.495 1.00 0.00 C ATOM 0 H THR A 171 -9.570 6.657 0.786 1.00 0.00 H new ATOM 0 HA THR A 171 -11.706 7.959 2.266 1.00 0.00 H new ATOM 0 HB THR A 171 -9.433 6.082 3.004 1.00 0.00 H new ATOM 0 HG1 THR A 171 -12.070 5.216 3.146 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.780 5.567 5.005 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.329 7.289 4.989 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.977 6.796 4.531 1.00 0.00 H new ATOM 418 N LEU A 172 -8.634 8.977 2.569 1.00 0.00 N ATOM 419 CA LEU A 172 -7.814 10.055 3.093 1.00 0.00 C ATOM 420 C LEU A 172 -8.434 11.397 2.701 1.00 0.00 C ATOM 421 O LEU A 172 -8.523 12.309 3.523 1.00 0.00 O ATOM 422 CB LEU A 172 -6.362 9.892 2.643 1.00 0.00 C ATOM 423 CG LEU A 172 -5.909 10.802 1.498 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.916 12.270 1.929 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.545 10.368 0.960 1.00 0.00 C ATOM 0 H LEU A 172 -8.141 8.324 1.960 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.790 10.021 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.714 10.071 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.210 8.856 2.339 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.623 10.704 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.590 12.895 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.925 12.557 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -5.238 12.405 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.247 11.031 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.806 10.418 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.609 9.345 0.589 1.00 0.00 H new ATOM 437 N ARG A 173 -8.846 11.479 1.444 1.00 0.00 N ATOM 438 CA ARG A 173 -9.454 12.694 0.934 1.00 0.00 C ATOM 439 C ARG A 173 -10.955 12.703 1.232 1.00 0.00 C ATOM 440 O ARG A 173 -11.674 13.599 0.790 1.00 0.00 O ATOM 441 CB ARG A 173 -9.243 12.822 -0.578 1.00 0.00 C ATOM 442 CG ARG A 173 -9.448 14.268 -1.038 1.00 0.00 C ATOM 443 CD ARG A 173 -8.882 14.480 -2.444 1.00 0.00 C ATOM 444 NE ARG A 173 -9.969 14.398 -3.445 1.00 0.00 N ATOM 445 CZ ARG A 173 -10.834 15.401 -3.704 1.00 0.00 C ATOM 446 NH1 ARG A 173 -10.747 16.572 -3.038 1.00 0.00 N ATOM 447 NH2 ARG A 173 -11.767 15.220 -4.621 1.00 0.00 N ATOM 0 H ARG A 173 -8.770 10.722 0.764 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.975 13.538 1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -8.237 12.493 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -9.938 12.167 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -10.511 14.509 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -8.961 14.948 -0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -8.393 15.452 -2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -8.123 13.727 -2.657 1.00 0.00 H new ATOM 0 HE ARG A 173 -10.071 13.530 -3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -10.023 16.705 -2.332 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -11.405 17.324 -3.241 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -11.826 14.333 -5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -12.429 15.967 -4.829 1.00 0.00 H new ATOM 461 N ALA A 174 -11.382 11.698 1.981 1.00 0.00 N ATOM 462 CA ALA A 174 -12.784 11.580 2.345 1.00 0.00 C ATOM 463 C ALA A 174 -13.007 12.224 3.714 1.00 0.00 C ATOM 464 O ALA A 174 -14.130 12.600 4.052 1.00 0.00 O ATOM 465 CB ALA A 174 -13.195 10.105 2.321 1.00 0.00 C ATOM 0 H ALA A 174 -10.782 10.958 2.346 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.413 12.106 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.246 10.016 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.045 9.702 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.587 9.546 3.032 1.00 0.00 H new ATOM 630 N THR A 186 1.598 9.139 5.821 1.00 0.00 N ATOM 631 CA THR A 186 0.641 8.506 4.929 1.00 0.00 C ATOM 632 C THR A 186 1.187 7.167 4.426 1.00 0.00 C ATOM 633 O THR A 186 0.492 6.153 4.475 1.00 0.00 O ATOM 634 CB THR A 186 0.320 9.492 3.805 1.00 0.00 C ATOM 635 OG1 THR A 186 -0.348 8.698 2.828 1.00 0.00 O ATOM 636 CG2 THR A 186 1.574 9.990 3.086 1.00 0.00 C ATOM 0 HA THR A 186 -0.288 8.269 5.448 1.00 0.00 H new ATOM 0 HB THR A 186 -0.225 10.343 4.214 1.00 0.00 H new ATOM 0 HG1 THR A 186 -0.594 9.259 2.063 1.00 0.00 H new ATOM 0 HG21 THR A 186 1.289 10.687 2.298 1.00 0.00 H new ATOM 0 HG22 THR A 186 2.226 10.495 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 186 2.103 9.143 2.648 1.00 0.00 H new ATOM 644 N GLU A 187 2.425 7.208 3.955 1.00 0.00 N ATOM 645 CA GLU A 187 3.071 6.011 3.444 1.00 0.00 C ATOM 646 C GLU A 187 3.148 4.943 4.537 1.00 0.00 C ATOM 647 O GLU A 187 2.997 3.754 4.259 1.00 0.00 O ATOM 648 CB GLU A 187 4.461 6.333 2.891 1.00 0.00 C ATOM 649 CG GLU A 187 5.073 5.110 2.206 1.00 0.00 C ATOM 650 CD GLU A 187 4.865 5.168 0.692 1.00 0.00 C ATOM 651 OE1 GLU A 187 5.825 4.992 -0.073 1.00 0.00 O ATOM 652 OE2 GLU A 187 3.654 5.405 0.317 1.00 0.00 O ATOM 0 H GLU A 187 2.998 8.051 3.917 1.00 0.00 H new ATOM 0 HA GLU A 187 2.472 5.619 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.392 7.156 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 187 5.111 6.665 3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 187 6.139 5.060 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 187 4.621 4.202 2.604 1.00 0.00 H new ATOM 660 N THR A 188 3.384 5.405 5.756 1.00 0.00 N ATOM 661 CA THR A 188 3.483 4.502 6.892 1.00 0.00 C ATOM 662 C THR A 188 2.132 3.841 7.167 1.00 0.00 C ATOM 663 O THR A 188 2.077 2.700 7.622 1.00 0.00 O ATOM 664 CB THR A 188 4.025 5.297 8.081 1.00 0.00 C ATOM 665 OG1 THR A 188 5.004 4.436 8.657 1.00 0.00 O ATOM 666 CG2 THR A 188 2.986 5.475 9.189 1.00 0.00 C ATOM 0 H THR A 188 3.510 6.392 5.983 1.00 0.00 H new ATOM 0 HA THR A 188 4.173 3.683 6.688 1.00 0.00 H new ATOM 0 HB THR A 188 4.362 6.276 7.740 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.408 4.874 9.435 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.422 6.046 10.009 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.121 6.009 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.673 4.497 9.554 1.00 0.00 H new ATOM 674 N LEU A 189 1.075 4.587 6.882 1.00 0.00 N ATOM 675 CA LEU A 189 -0.272 4.088 7.094 1.00 0.00 C ATOM 676 C LEU A 189 -0.591 3.028 6.037 1.00 0.00 C ATOM 677 O LEU A 189 -1.102 1.957 6.362 1.00 0.00 O ATOM 678 CB LEU A 189 -1.274 5.245 7.125 1.00 0.00 C ATOM 679 CG LEU A 189 -1.792 5.645 8.508 1.00 0.00 C ATOM 680 CD1 LEU A 189 -0.665 5.624 9.543 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.498 7.001 8.456 1.00 0.00 C ATOM 0 H LEU A 189 1.125 5.534 6.506 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.349 3.603 8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.807 6.117 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.128 4.977 6.502 1.00 0.00 H new ATOM 0 HG LEU A 189 -2.531 4.908 8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -1.060 5.912 10.517 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -0.246 4.620 9.604 1.00 0.00 H new ATOM 0 HD13 LEU A 189 0.115 6.325 9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.857 7.263 9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -1.799 7.762 8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -3.342 6.946 7.769 1.00 0.00 H new ATOM 693 N LEU A 190 -0.277 3.363 4.795 1.00 0.00 N ATOM 694 CA LEU A 190 -0.524 2.454 3.688 1.00 0.00 C ATOM 695 C LEU A 190 0.224 1.141 3.937 1.00 0.00 C ATOM 696 O LEU A 190 -0.329 0.061 3.738 1.00 0.00 O ATOM 697 CB LEU A 190 -0.170 3.120 2.358 1.00 0.00 C ATOM 698 CG LEU A 190 -0.326 2.249 1.108 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.630 2.574 0.376 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.893 2.379 0.194 1.00 0.00 C ATOM 0 H LEU A 190 0.147 4.252 4.530 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.585 2.211 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -0.795 4.005 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.863 3.464 2.410 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.382 1.206 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.718 1.943 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.475 2.390 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.627 3.622 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.757 1.750 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.006 3.418 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.786 2.061 0.732 1.00 0.00 H new ATOM 712 N VAL A 191 1.469 1.280 4.368 1.00 0.00 N ATOM 713 CA VAL A 191 2.297 0.118 4.645 1.00 0.00 C ATOM 714 C VAL A 191 1.744 -0.617 5.867 1.00 0.00 C ATOM 715 O VAL A 191 1.618 -1.841 5.855 1.00 0.00 O ATOM 716 CB VAL A 191 3.757 0.545 4.814 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.601 -0.598 5.382 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.338 1.051 3.492 1.00 0.00 C ATOM 0 H VAL A 191 1.924 2.178 4.532 1.00 0.00 H new ATOM 0 HA VAL A 191 2.271 -0.579 3.807 1.00 0.00 H new ATOM 0 HB VAL A 191 3.784 1.368 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.634 -0.268 5.492 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.208 -0.891 6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.563 -1.450 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.376 1.348 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.291 0.257 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.761 1.909 3.146 1.00 0.00 H new ATOM 728 N GLN A 192 1.429 0.159 6.893 1.00 0.00 N ATOM 729 CA GLN A 192 0.892 -0.404 8.120 1.00 0.00 C ATOM 730 C GLN A 192 -0.467 -1.055 7.856 1.00 0.00 C ATOM 731 O GLN A 192 -0.778 -2.101 8.423 1.00 0.00 O ATOM 732 CB GLN A 192 0.785 0.664 9.211 1.00 0.00 C ATOM 733 CG GLN A 192 2.130 0.873 9.909 1.00 0.00 C ATOM 734 CD GLN A 192 2.016 1.921 11.018 1.00 0.00 C ATOM 735 OE1 GLN A 192 1.291 2.894 10.915 1.00 0.00 O ATOM 736 NE2 GLN A 192 2.773 1.665 12.082 1.00 0.00 N ATOM 0 H GLN A 192 1.535 1.173 6.900 1.00 0.00 H new ATOM 0 HA GLN A 192 1.578 -1.173 8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.449 1.604 8.773 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.034 0.367 9.943 1.00 0.00 H new ATOM 0 HG2 GLN A 192 2.476 -0.071 10.330 1.00 0.00 H new ATOM 0 HG3 GLN A 192 2.876 1.189 9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 192 3.358 0.830 12.103 1.00 0.00 H new ATOM 0 HE22 GLN A 192 2.768 2.304 12.877 1.00 0.00 H new ATOM 745 N ASN A 193 -1.239 -0.410 6.992 1.00 0.00 N ATOM 746 CA ASN A 193 -2.556 -0.915 6.646 1.00 0.00 C ATOM 747 C ASN A 193 -2.425 -1.942 5.519 1.00 0.00 C ATOM 748 O ASN A 193 -3.425 -2.460 5.028 1.00 0.00 O ATOM 749 CB ASN A 193 -3.466 0.213 6.153 1.00 0.00 C ATOM 750 CG ASN A 193 -4.923 -0.050 6.539 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.615 0.804 7.067 1.00 0.00 O ATOM 752 ND2 ASN A 193 -5.348 -1.275 6.244 1.00 0.00 N ATOM 0 H ASN A 193 -0.977 0.457 6.522 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.989 -1.365 7.539 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.139 1.162 6.579 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.384 0.304 5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -6.307 -1.548 6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -4.715 -1.942 5.802 1.00 0.00 H new ATOM 759 N ALA A 194 -1.181 -2.206 5.145 1.00 0.00 N ATOM 760 CA ALA A 194 -0.906 -3.162 4.087 1.00 0.00 C ATOM 761 C ALA A 194 -0.568 -4.520 4.707 1.00 0.00 C ATOM 762 O ALA A 194 -0.198 -4.597 5.877 1.00 0.00 O ATOM 763 CB ALA A 194 0.221 -2.630 3.199 1.00 0.00 C ATOM 0 H ALA A 194 -0.353 -1.774 5.556 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.783 -3.298 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.428 -3.347 2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -0.080 -1.679 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.119 -2.484 3.799 1.00 0.00 H new ATOM 769 N ASN A 195 -0.708 -5.557 3.893 1.00 0.00 N ATOM 770 CA ASN A 195 -0.423 -6.907 4.348 1.00 0.00 C ATOM 771 C ASN A 195 0.864 -6.900 5.178 1.00 0.00 C ATOM 772 O ASN A 195 1.624 -5.934 5.142 1.00 0.00 O ATOM 773 CB ASN A 195 -0.217 -7.854 3.164 1.00 0.00 C ATOM 774 CG ASN A 195 -1.195 -9.029 3.225 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.103 -9.072 4.039 1.00 0.00 O ATOM 776 ND2 ASN A 195 -0.960 -9.976 2.321 1.00 0.00 N ATOM 0 H ASN A 195 -1.015 -5.489 2.923 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.271 -7.250 4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.355 -7.309 2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.807 -8.228 3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -1.558 -10.801 2.280 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -0.182 -9.877 1.669 1.00 0.00 H new ATOM 783 N PRO A 196 1.072 -8.019 5.922 1.00 0.00 N ATOM 784 CA PRO A 196 2.253 -8.151 6.759 1.00 0.00 C ATOM 785 C PRO A 196 3.494 -8.441 5.913 1.00 0.00 C ATOM 786 O PRO A 196 4.493 -7.732 6.009 1.00 0.00 O ATOM 787 CB PRO A 196 1.922 -9.271 7.731 1.00 0.00 C ATOM 788 CG PRO A 196 0.764 -10.034 7.110 1.00 0.00 C ATOM 789 CD PRO A 196 0.194 -9.183 5.988 1.00 0.00 C ATOM 0 HA PRO A 196 2.493 -7.233 7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.782 -9.923 7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.648 -8.872 8.708 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.103 -10.996 6.725 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -0.001 -10.242 7.858 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.186 -9.727 5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.835 -8.891 6.196 1.00 0.00 H new ATOM 797 N ASP A 197 3.390 -9.484 5.105 1.00 0.00 N ATOM 798 CA ASP A 197 4.492 -9.877 4.243 1.00 0.00 C ATOM 799 C ASP A 197 4.964 -8.661 3.441 1.00 0.00 C ATOM 800 O ASP A 197 6.164 -8.420 3.324 1.00 0.00 O ATOM 801 CB ASP A 197 4.058 -10.957 3.251 1.00 0.00 C ATOM 802 CG ASP A 197 4.822 -12.279 3.358 1.00 0.00 C ATOM 803 OD1 ASP A 197 5.399 -12.598 4.408 1.00 0.00 O ATOM 804 OD2 ASP A 197 4.811 -13.004 2.291 1.00 0.00 O ATOM 0 H ASP A 197 2.559 -10.070 5.028 1.00 0.00 H new ATOM 0 HA ASP A 197 5.291 -10.267 4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.996 -11.156 3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.175 -10.568 2.239 1.00 0.00 H new ATOM 810 N CYS A 198 3.996 -7.930 2.910 1.00 0.00 N ATOM 811 CA CYS A 198 4.298 -6.747 2.123 1.00 0.00 C ATOM 812 C CYS A 198 5.205 -5.836 2.954 1.00 0.00 C ATOM 813 O CYS A 198 6.091 -5.176 2.412 1.00 0.00 O ATOM 814 CB CYS A 198 3.024 -6.026 1.674 1.00 0.00 C ATOM 815 SG CYS A 198 3.435 -4.745 0.433 1.00 0.00 S ATOM 0 H CYS A 198 3.002 -8.134 3.009 1.00 0.00 H new ATOM 0 HA CYS A 198 4.815 -7.038 1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.321 -6.743 1.250 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.533 -5.568 2.533 1.00 0.00 H new ATOM 0 HG CYS A 198 2.338 -4.237 -0.046 1.00 0.00 H new ATOM 821 N LYS A 199 4.954 -5.832 4.254 1.00 0.00 N ATOM 822 CA LYS A 199 5.737 -5.012 5.164 1.00 0.00 C ATOM 823 C LYS A 199 7.220 -5.355 5.003 1.00 0.00 C ATOM 824 O LYS A 199 8.065 -4.463 4.951 1.00 0.00 O ATOM 825 CB LYS A 199 5.224 -5.165 6.598 1.00 0.00 C ATOM 826 CG LYS A 199 5.713 -4.013 7.479 1.00 0.00 C ATOM 827 CD LYS A 199 4.537 -3.195 8.015 1.00 0.00 C ATOM 828 CE LYS A 199 5.021 -2.082 8.947 1.00 0.00 C ATOM 829 NZ LYS A 199 4.320 -2.155 10.249 1.00 0.00 N ATOM 0 H LYS A 199 4.220 -6.383 4.700 1.00 0.00 H new ATOM 0 HA LYS A 199 5.624 -3.956 4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 199 4.134 -5.191 6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.565 -6.114 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.295 -4.409 8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.377 -3.368 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 199 3.982 -2.762 7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 199 3.849 -3.849 8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 199 6.096 -2.170 9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 199 4.844 -1.110 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 4.648 -1.383 10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 3.295 -2.065 10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 4.524 -3.068 10.702 1.00 0.00 H new ATOM 843 N THR A 200 7.491 -6.649 4.928 1.00 0.00 N ATOM 844 CA THR A 200 8.857 -7.120 4.774 1.00 0.00 C ATOM 845 C THR A 200 9.390 -6.767 3.382 1.00 0.00 C ATOM 846 O THR A 200 10.573 -6.477 3.222 1.00 0.00 O ATOM 847 CB THR A 200 8.875 -8.621 5.068 1.00 0.00 C ATOM 848 OG1 THR A 200 8.350 -8.723 6.388 1.00 0.00 O ATOM 849 CG2 THR A 200 10.296 -9.177 5.189 1.00 0.00 C ATOM 0 H THR A 200 6.788 -7.387 4.971 1.00 0.00 H new ATOM 0 HA THR A 200 9.527 -6.627 5.479 1.00 0.00 H new ATOM 0 HB THR A 200 8.343 -9.151 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.325 -9.665 6.658 1.00 0.00 H new ATOM 0 HG21 THR A 200 10.252 -10.246 5.398 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.832 -9.012 4.255 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.817 -8.670 6.001 1.00 0.00 H new ATOM 857 N ILE A 201 8.488 -6.803 2.413 1.00 0.00 N ATOM 858 CA ILE A 201 8.851 -6.491 1.040 1.00 0.00 C ATOM 859 C ILE A 201 9.318 -5.037 0.961 1.00 0.00 C ATOM 860 O ILE A 201 10.296 -4.731 0.281 1.00 0.00 O ATOM 861 CB ILE A 201 7.696 -6.819 0.093 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.192 -8.245 0.316 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.095 -6.573 -1.364 1.00 0.00 C ATOM 864 CD1 ILE A 201 5.868 -8.480 -0.413 1.00 0.00 C ATOM 0 H ILE A 201 7.506 -7.043 2.551 1.00 0.00 H new ATOM 0 HA ILE A 201 9.685 -7.113 0.714 1.00 0.00 H new ATOM 0 HB ILE A 201 6.868 -6.147 0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.937 -8.957 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 201 7.061 -8.425 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.256 -6.814 -2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.367 -5.526 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 201 8.946 -7.204 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 201 5.532 -9.502 -0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 201 5.118 -7.783 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 201 6.009 -8.323 -1.482 1.00 0.00 H new ATOM 876 N LEU A 202 8.596 -4.177 1.666 1.00 0.00 N ATOM 877 CA LEU A 202 8.925 -2.761 1.682 1.00 0.00 C ATOM 878 C LEU A 202 10.198 -2.547 2.504 1.00 0.00 C ATOM 879 O LEU A 202 11.003 -1.671 2.194 1.00 0.00 O ATOM 880 CB LEU A 202 7.731 -1.940 2.173 1.00 0.00 C ATOM 881 CG LEU A 202 6.729 -1.508 1.101 1.00 0.00 C ATOM 882 CD1 LEU A 202 6.408 -2.663 0.152 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.468 -0.917 1.734 1.00 0.00 C ATOM 0 H LEU A 202 7.785 -4.433 2.230 1.00 0.00 H new ATOM 0 HA LEU A 202 9.133 -2.406 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 202 7.199 -2.523 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 202 8.109 -1.047 2.670 1.00 0.00 H new ATOM 0 HG LEU A 202 7.188 -0.720 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 202 5.693 -2.328 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 202 7.323 -2.995 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 202 5.979 -3.490 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 202 4.773 -0.618 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 202 4.996 -1.665 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 202 5.735 -0.046 2.333 1.00 0.00 H new ATOM 895 N LYS A 203 10.342 -3.365 3.538 1.00 0.00 N ATOM 896 CA LYS A 203 11.502 -3.275 4.407 1.00 0.00 C ATOM 897 C LYS A 203 12.752 -3.686 3.624 1.00 0.00 C ATOM 898 O LYS A 203 13.833 -3.143 3.847 1.00 0.00 O ATOM 899 CB LYS A 203 11.280 -4.091 5.682 1.00 0.00 C ATOM 900 CG LYS A 203 10.680 -3.223 6.791 1.00 0.00 C ATOM 901 CD LYS A 203 10.075 -4.088 7.898 1.00 0.00 C ATOM 902 CE LYS A 203 9.589 -3.225 9.065 1.00 0.00 C ATOM 903 NZ LYS A 203 10.446 -3.432 10.254 1.00 0.00 N ATOM 0 H LYS A 203 9.674 -4.093 3.792 1.00 0.00 H new ATOM 0 HA LYS A 203 11.654 -2.247 4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.615 -4.929 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 203 12.227 -4.513 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 203 11.452 -2.577 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.912 -2.572 6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 203 9.243 -4.667 7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.818 -4.802 8.254 1.00 0.00 H new ATOM 0 HE2 LYS A 203 9.603 -2.174 8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 203 8.556 -3.476 9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 10.103 -2.839 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 10.412 -4.432 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 11.426 -3.170 10.025 1.00 0.00 H new ATOM 917 N ALA A 204 12.562 -4.640 2.726 1.00 0.00 N ATOM 918 CA ALA A 204 13.660 -5.129 1.910 1.00 0.00 C ATOM 919 C ALA A 204 13.811 -4.234 0.678 1.00 0.00 C ATOM 920 O ALA A 204 14.879 -4.188 0.069 1.00 0.00 O ATOM 921 CB ALA A 204 13.410 -6.593 1.540 1.00 0.00 C ATOM 0 H ALA A 204 11.664 -5.088 2.545 1.00 0.00 H new ATOM 0 HA ALA A 204 14.598 -5.089 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.234 -6.959 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.339 -7.191 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.478 -6.673 0.980 1.00 0.00 H new ATOM 927 N LEU A 205 12.729 -3.546 0.350 1.00 0.00 N ATOM 928 CA LEU A 205 12.729 -2.655 -0.799 1.00 0.00 C ATOM 929 C LEU A 205 13.375 -1.324 -0.406 1.00 0.00 C ATOM 930 O LEU A 205 14.468 -1.001 -0.867 1.00 0.00 O ATOM 931 CB LEU A 205 11.314 -2.510 -1.362 1.00 0.00 C ATOM 932 CG LEU A 205 10.963 -1.140 -1.946 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.106 -1.283 -3.206 1.00 0.00 C ATOM 934 CD2 LEU A 205 10.293 -0.251 -0.897 1.00 0.00 C ATOM 0 H LEU A 205 11.846 -3.587 0.859 1.00 0.00 H new ATOM 0 HA LEU A 205 13.328 -3.074 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 205 11.175 -3.261 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.603 -2.738 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 205 11.890 -0.648 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.871 -0.294 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 205 10.655 -1.852 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.181 -1.805 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 205 10.054 0.716 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.376 -0.727 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.970 -0.108 -0.055 1.00 0.00 H new ATOM 946 N GLY A 206 12.670 -0.588 0.441 1.00 0.00 N ATOM 947 CA GLY A 206 13.161 0.699 0.900 1.00 0.00 C ATOM 948 C GLY A 206 12.182 1.339 1.887 1.00 0.00 C ATOM 949 O GLY A 206 10.990 1.445 1.604 1.00 0.00 O ATOM 0 H GLY A 206 11.763 -0.859 0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.133 0.572 1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.308 1.361 0.047 1.00 0.00 H new ATOM 953 N PRO A 207 12.737 1.762 3.055 1.00 0.00 N ATOM 954 CA PRO A 207 11.927 2.388 4.085 1.00 0.00 C ATOM 955 C PRO A 207 11.563 3.823 3.699 1.00 0.00 C ATOM 956 O PRO A 207 11.861 4.763 4.435 1.00 0.00 O ATOM 957 CB PRO A 207 12.765 2.308 5.350 1.00 0.00 C ATOM 958 CG PRO A 207 14.192 2.062 4.888 1.00 0.00 C ATOM 959 CD PRO A 207 14.145 1.653 3.425 1.00 0.00 C ATOM 0 HA PRO A 207 10.969 1.888 4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 207 12.694 3.231 5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.419 1.502 5.997 1.00 0.00 H new ATOM 0 HG2 PRO A 207 14.794 2.962 5.014 1.00 0.00 H new ATOM 0 HG3 PRO A 207 14.658 1.280 5.488 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.767 2.305 2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.514 0.637 3.286 1.00 0.00 H new ATOM 967 N GLY A 208 10.923 3.949 2.546 1.00 0.00 N ATOM 968 CA GLY A 208 10.516 5.254 2.053 1.00 0.00 C ATOM 969 C GLY A 208 10.783 5.381 0.552 1.00 0.00 C ATOM 970 O GLY A 208 11.271 6.409 0.089 1.00 0.00 O ATOM 0 H GLY A 208 10.676 3.168 1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.455 5.407 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.056 6.034 2.589 1.00 0.00 H new ATOM 974 N ALA A 209 10.449 4.320 -0.169 1.00 0.00 N ATOM 975 CA ALA A 209 10.645 4.299 -1.608 1.00 0.00 C ATOM 976 C ALA A 209 9.492 5.040 -2.286 1.00 0.00 C ATOM 977 O ALA A 209 8.514 5.402 -1.635 1.00 0.00 O ATOM 978 CB ALA A 209 10.769 2.850 -2.086 1.00 0.00 C ATOM 0 H ALA A 209 10.043 3.468 0.218 1.00 0.00 H new ATOM 0 HA ALA A 209 11.569 4.811 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 209 10.916 2.834 -3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 209 11.621 2.377 -1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.859 2.305 -1.836 1.00 0.00 H new ATOM 984 N THR A 210 9.647 5.245 -3.586 1.00 0.00 N ATOM 985 CA THR A 210 8.629 5.937 -4.360 1.00 0.00 C ATOM 986 C THR A 210 7.428 5.022 -4.601 1.00 0.00 C ATOM 987 O THR A 210 7.556 3.799 -4.564 1.00 0.00 O ATOM 988 CB THR A 210 9.279 6.440 -5.650 1.00 0.00 C ATOM 989 OG1 THR A 210 8.315 7.337 -6.197 1.00 0.00 O ATOM 990 CG2 THR A 210 9.410 5.342 -6.707 1.00 0.00 C ATOM 0 H THR A 210 10.461 4.945 -4.123 1.00 0.00 H new ATOM 0 HA THR A 210 8.237 6.798 -3.819 1.00 0.00 H new ATOM 0 HB THR A 210 10.265 6.846 -5.425 1.00 0.00 H new ATOM 0 HG1 THR A 210 8.656 7.712 -7.036 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.877 5.753 -7.602 1.00 0.00 H new ATOM 0 HG22 THR A 210 10.025 4.532 -6.316 1.00 0.00 H new ATOM 0 HG23 THR A 210 8.421 4.958 -6.958 1.00 0.00 H new ATOM 998 N LEU A 211 6.287 5.649 -4.845 1.00 0.00 N ATOM 999 CA LEU A 211 5.062 4.906 -5.093 1.00 0.00 C ATOM 1000 C LEU A 211 5.353 3.765 -6.071 1.00 0.00 C ATOM 1001 O LEU A 211 4.887 2.643 -5.877 1.00 0.00 O ATOM 1002 CB LEU A 211 3.950 5.846 -5.560 1.00 0.00 C ATOM 1003 CG LEU A 211 2.610 5.714 -4.832 1.00 0.00 C ATOM 1004 CD1 LEU A 211 2.072 7.086 -4.420 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.603 4.932 -5.675 1.00 0.00 C ATOM 0 H LEU A 211 6.184 6.663 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 211 4.698 4.453 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 211 4.300 6.873 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.781 5.677 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 211 2.773 5.145 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 211 1.119 6.964 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 211 2.785 7.571 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 211 1.928 7.702 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.660 4.853 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 211 1.438 5.451 -6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.992 3.933 -5.873 1.00 0.00 H new ATOM 1017 N GLU A 212 6.123 4.089 -7.099 1.00 0.00 N ATOM 1018 CA GLU A 212 6.481 3.106 -8.107 1.00 0.00 C ATOM 1019 C GLU A 212 7.192 1.916 -7.457 1.00 0.00 C ATOM 1020 O GLU A 212 6.892 0.765 -7.769 1.00 0.00 O ATOM 1021 CB GLU A 212 7.348 3.732 -9.200 1.00 0.00 C ATOM 1022 CG GLU A 212 6.791 3.413 -10.590 1.00 0.00 C ATOM 1023 CD GLU A 212 5.324 3.831 -10.702 1.00 0.00 C ATOM 1024 OE1 GLU A 212 4.976 4.973 -10.366 1.00 0.00 O ATOM 1025 OE2 GLU A 212 4.531 2.919 -11.158 1.00 0.00 O ATOM 0 H GLU A 212 6.509 5.020 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 212 5.566 2.746 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 212 7.392 4.812 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 212 8.369 3.358 -9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 212 7.379 3.930 -11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 212 6.885 2.345 -10.787 1.00 0.00 H new ATOM 1033 N GLU A 213 8.119 2.236 -6.567 1.00 0.00 N ATOM 1034 CA GLU A 213 8.875 1.208 -5.872 1.00 0.00 C ATOM 1035 C GLU A 213 7.953 0.398 -4.958 1.00 0.00 C ATOM 1036 O GLU A 213 8.057 -0.825 -4.891 1.00 0.00 O ATOM 1037 CB GLU A 213 10.033 1.819 -5.080 1.00 0.00 C ATOM 1038 CG GLU A 213 11.178 0.817 -4.921 1.00 0.00 C ATOM 1039 CD GLU A 213 12.445 1.316 -5.618 1.00 0.00 C ATOM 1040 OE1 GLU A 213 13.127 2.211 -5.096 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.712 0.739 -6.740 1.00 0.00 O ATOM 0 H GLU A 213 8.364 3.192 -6.311 1.00 0.00 H new ATOM 0 HA GLU A 213 9.302 0.534 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.395 2.712 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.681 2.133 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.381 0.656 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.884 -0.146 -5.339 1.00 0.00 H new ATOM 1049 N MET A 214 7.070 1.113 -4.276 1.00 0.00 N ATOM 1050 CA MET A 214 6.131 0.477 -3.369 1.00 0.00 C ATOM 1051 C MET A 214 5.213 -0.490 -4.122 1.00 0.00 C ATOM 1052 O MET A 214 4.906 -1.572 -3.625 1.00 0.00 O ATOM 1053 CB MET A 214 5.287 1.546 -2.675 1.00 0.00 C ATOM 1054 CG MET A 214 6.168 2.498 -1.861 1.00 0.00 C ATOM 1055 SD MET A 214 5.945 2.195 -0.116 1.00 0.00 S ATOM 1056 CE MET A 214 4.171 2.362 0.003 1.00 0.00 C ATOM 0 H MET A 214 6.986 2.128 -4.334 1.00 0.00 H new ATOM 0 HA MET A 214 6.696 -0.089 -2.628 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.726 2.111 -3.419 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.558 1.070 -2.020 1.00 0.00 H new ATOM 0 HG2 MET A 214 7.215 2.359 -2.132 1.00 0.00 H new ATOM 0 HG3 MET A 214 5.913 3.532 -2.094 1.00 0.00 H new ATOM 0 HE1 MET A 214 3.906 2.730 0.994 1.00 0.00 H new ATOM 0 HE2 MET A 214 3.820 3.066 -0.752 1.00 0.00 H new ATOM 0 HE3 MET A 214 3.702 1.392 -0.161 1.00 0.00 H new ATOM 1066 N MET A 215 4.801 -0.063 -5.306 1.00 0.00 N ATOM 1067 CA MET A 215 3.924 -0.877 -6.130 1.00 0.00 C ATOM 1068 C MET A 215 4.672 -2.087 -6.696 1.00 0.00 C ATOM 1069 O MET A 215 4.091 -3.159 -6.859 1.00 0.00 O ATOM 1070 CB MET A 215 3.375 -0.032 -7.280 1.00 0.00 C ATOM 1071 CG MET A 215 2.309 -0.799 -8.066 1.00 0.00 C ATOM 1072 SD MET A 215 0.993 0.306 -8.549 1.00 0.00 S ATOM 1073 CE MET A 215 1.072 0.122 -10.324 1.00 0.00 C ATOM 0 H MET A 215 5.058 0.836 -5.714 1.00 0.00 H new ATOM 0 HA MET A 215 3.104 -1.238 -5.509 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.948 0.890 -6.886 1.00 0.00 H new ATOM 0 HB3 MET A 215 4.189 0.253 -7.947 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.755 -1.255 -8.950 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.909 -1.610 -7.457 1.00 0.00 H new ATOM 0 HE1 MET A 215 0.311 0.749 -10.789 1.00 0.00 H new ATOM 0 HE2 MET A 215 2.058 0.425 -10.678 1.00 0.00 H new ATOM 0 HE3 MET A 215 0.896 -0.920 -10.590 1.00 0.00 H new ATOM 1083 N THR A 216 5.947 -1.873 -6.982 1.00 0.00 N ATOM 1084 CA THR A 216 6.779 -2.934 -7.526 1.00 0.00 C ATOM 1085 C THR A 216 6.951 -4.057 -6.501 1.00 0.00 C ATOM 1086 O THR A 216 6.938 -5.234 -6.858 1.00 0.00 O ATOM 1087 CB THR A 216 8.104 -2.311 -7.972 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.954 -2.147 -9.379 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.281 -3.278 -7.832 1.00 0.00 C ATOM 0 H THR A 216 6.425 -0.982 -6.848 1.00 0.00 H new ATOM 0 HA THR A 216 6.311 -3.399 -8.394 1.00 0.00 H new ATOM 0 HB THR A 216 8.300 -1.414 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.768 -1.747 -9.750 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.197 -2.787 -8.162 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.385 -3.576 -6.789 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.102 -4.161 -8.446 1.00 0.00 H new ATOM 1097 N ALA A 217 7.107 -3.653 -5.248 1.00 0.00 N ATOM 1098 CA ALA A 217 7.280 -4.611 -4.171 1.00 0.00 C ATOM 1099 C ALA A 217 5.950 -5.320 -3.905 1.00 0.00 C ATOM 1100 O ALA A 217 5.916 -6.536 -3.718 1.00 0.00 O ATOM 1101 CB ALA A 217 7.814 -3.893 -2.929 1.00 0.00 C ATOM 0 H ALA A 217 7.117 -2.676 -4.956 1.00 0.00 H new ATOM 0 HA ALA A 217 8.010 -5.371 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 217 7.944 -4.612 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.773 -3.430 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.106 -3.124 -2.620 1.00 0.00 H new ATOM 1107 N CYS A 218 4.887 -4.531 -3.898 1.00 0.00 N ATOM 1108 CA CYS A 218 3.558 -5.068 -3.659 1.00 0.00 C ATOM 1109 C CYS A 218 3.255 -6.105 -4.743 1.00 0.00 C ATOM 1110 O CYS A 218 2.755 -7.189 -4.447 1.00 0.00 O ATOM 1111 CB CYS A 218 2.499 -3.963 -3.616 1.00 0.00 C ATOM 1112 SG CYS A 218 0.996 -4.568 -2.767 1.00 0.00 S ATOM 0 H CYS A 218 4.918 -3.523 -4.054 1.00 0.00 H new ATOM 0 HA CYS A 218 3.529 -5.547 -2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.894 -3.090 -3.096 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.251 -3.646 -4.629 1.00 0.00 H new ATOM 0 HG CYS A 218 0.410 -3.577 -2.163 1.00 0.00 H new ATOM 1118 N GLN A 219 3.574 -5.736 -5.975 1.00 0.00 N ATOM 1119 CA GLN A 219 3.343 -6.620 -7.104 1.00 0.00 C ATOM 1120 C GLN A 219 4.155 -7.907 -6.945 1.00 0.00 C ATOM 1121 O GLN A 219 3.789 -8.948 -7.489 1.00 0.00 O ATOM 1122 CB GLN A 219 3.676 -5.923 -8.424 1.00 0.00 C ATOM 1123 CG GLN A 219 2.496 -5.992 -9.394 1.00 0.00 C ATOM 1124 CD GLN A 219 2.362 -7.392 -9.997 1.00 0.00 C ATOM 1125 OE1 GLN A 219 3.109 -7.793 -10.875 1.00 0.00 O ATOM 1126 NE2 GLN A 219 1.371 -8.112 -9.477 1.00 0.00 N ATOM 0 H GLN A 219 3.991 -4.837 -6.216 1.00 0.00 H new ATOM 0 HA GLN A 219 2.285 -6.880 -7.125 1.00 0.00 H new ATOM 0 HB2 GLN A 219 3.935 -4.881 -8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.550 -6.391 -8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 219 1.576 -5.727 -8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.632 -5.261 -10.191 1.00 0.00 H new ATOM 0 HE21 GLN A 219 0.783 -7.716 -8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 219 1.200 -9.060 -9.811 1.00 0.00 H new ATOM 1135 N GLY A 220 5.243 -7.795 -6.194 1.00 0.00 N ATOM 1136 CA GLY A 220 6.107 -8.936 -5.955 1.00 0.00 C ATOM 1137 C GLY A 220 5.508 -9.869 -4.903 1.00 0.00 C ATOM 1138 O GLY A 220 5.825 -11.058 -4.866 1.00 0.00 O ATOM 0 H GLY A 220 5.544 -6.930 -5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.259 -9.482 -6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.087 -8.591 -5.624 1.00 0.00 H new ATOM 1142 N VAL A 221 4.651 -9.297 -4.069 1.00 0.00 N ATOM 1143 CA VAL A 221 4.003 -10.063 -3.019 1.00 0.00 C ATOM 1144 C VAL A 221 3.470 -11.372 -3.602 1.00 0.00 C ATOM 1145 O VAL A 221 2.789 -11.368 -4.625 1.00 0.00 O ATOM 1146 CB VAL A 221 2.916 -9.219 -2.350 1.00 0.00 C ATOM 1147 CG1 VAL A 221 1.583 -9.360 -3.087 1.00 0.00 C ATOM 1148 CG2 VAL A 221 2.767 -9.585 -0.872 1.00 0.00 C ATOM 0 H VAL A 221 4.391 -8.311 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 221 4.719 -10.323 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 221 3.222 -8.174 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 221 0.827 -8.750 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 221 1.700 -9.026 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.271 -10.404 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 221 1.988 -8.970 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 221 2.496 -10.637 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 221 3.711 -9.409 -0.357 1.00 0.00 H new