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 Single : A 149 SER OG : rot 31:sc= -0.432 USER MOD Single : A 155 GLN : amide:sc= -1.64 K(o=-1.6,f=-8.2!) USER MOD Single : A 164 TYR OH : rot 177:sc= -2.9! USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 87:sc= -0.87 USER MOD Single : A 186 THR OG1 : rot 170:sc= -0.345 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.0633 K(o=-0.063,f=-1.7!) USER MOD Single : A 193 ASN :FLIP amide:sc= -3.54! C(o=-4.8!,f=-3.5!) USER MOD Single : A 195 ASN :FLIP amide:sc= -4.43! C(o=-5.4!,f=-4.4!) USER MOD Single : A 198 CYS SG : rot 180:sc= -0.223 USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0795 USER MOD Single : A 214 MET CE :methyl 163:sc= -0.799 (180deg=-1.48) 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 218 CYS SG : rot 148:sc= -1.61 USER MOD Single : A 219 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.362 5.297 6.958 1.00 0.00 N ATOM 16 CA SER A 149 -12.066 5.587 7.547 1.00 0.00 C ATOM 17 C SER A 149 -10.951 4.999 6.678 1.00 0.00 C ATOM 18 O SER A 149 -11.225 4.338 5.678 1.00 0.00 O ATOM 19 CB SER A 149 -11.973 5.039 8.972 1.00 0.00 C ATOM 20 OG SER A 149 -10.868 5.588 9.686 1.00 0.00 O ATOM 0 HA SER A 149 -11.948 6.670 7.595 1.00 0.00 H new ATOM 0 HB2 SER A 149 -12.896 5.262 9.507 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.879 3.954 8.937 1.00 0.00 H new ATOM 0 HG SER A 149 -10.693 6.498 9.368 1.00 0.00 H new ATOM 26 N ILE A 150 -9.722 5.261 7.094 1.00 0.00 N ATOM 27 CA ILE A 150 -8.565 4.765 6.366 1.00 0.00 C ATOM 28 C ILE A 150 -8.292 3.317 6.777 1.00 0.00 C ATOM 29 O ILE A 150 -7.595 2.588 6.070 1.00 0.00 O ATOM 30 CB ILE A 150 -7.368 5.697 6.563 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.791 7.163 6.455 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.239 5.353 5.589 1.00 0.00 C ATOM 33 CD1 ILE A 150 -7.946 7.583 4.992 1.00 0.00 C ATOM 0 H ILE A 150 -9.501 5.810 7.925 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.762 4.761 5.294 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.981 5.547 7.571 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.733 7.313 6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.049 7.796 6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.400 6.030 5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.914 4.326 5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.598 5.457 4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.247 8.629 4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.996 7.455 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.706 6.964 4.514 1.00 0.00 H new ATOM 45 N LEU A 151 -8.852 2.943 7.917 1.00 0.00 N ATOM 46 CA LEU A 151 -8.678 1.595 8.430 1.00 0.00 C ATOM 47 C LEU A 151 -9.297 0.597 7.450 1.00 0.00 C ATOM 48 O LEU A 151 -8.769 -0.497 7.256 1.00 0.00 O ATOM 49 CB LEU A 151 -9.234 1.487 9.851 1.00 0.00 C ATOM 50 CG LEU A 151 -10.752 1.603 9.990 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.392 0.230 10.201 1.00 0.00 C ATOM 52 CD2 LEU A 151 -11.129 2.587 11.099 1.00 0.00 C ATOM 0 H LEU A 151 -9.427 3.550 8.501 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.619 1.351 8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.923 0.529 10.269 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.773 2.265 10.460 1.00 0.00 H new ATOM 0 HG LEU A 151 -11.149 2.002 9.057 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.472 0.343 10.297 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -11.168 -0.411 9.348 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.993 -0.222 11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -12.214 2.650 11.176 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.717 2.242 12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.724 3.572 10.865 1.00 0.00 H new ATOM 64 N ASP A 152 -10.410 1.008 6.860 1.00 0.00 N ATOM 65 CA ASP A 152 -11.107 0.163 5.906 1.00 0.00 C ATOM 66 C ASP A 152 -10.215 -0.060 4.682 1.00 0.00 C ATOM 67 O ASP A 152 -10.401 -1.024 3.942 1.00 0.00 O ATOM 68 CB ASP A 152 -12.404 0.821 5.431 1.00 0.00 C ATOM 69 CG ASP A 152 -13.332 -0.087 4.622 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.506 0.096 3.408 1.00 0.00 O ATOM 71 OD2 ASP A 152 -13.898 -1.028 5.298 1.00 0.00 O ATOM 0 H ASP A 152 -10.846 1.915 7.024 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.341 -0.780 6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.948 1.187 6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.151 1.690 4.824 1.00 0.00 H new ATOM 77 N ILE A 153 -9.266 0.847 4.508 1.00 0.00 N ATOM 78 CA ILE A 153 -8.346 0.762 3.387 1.00 0.00 C ATOM 79 C ILE A 153 -7.229 -0.228 3.724 1.00 0.00 C ATOM 80 O ILE A 153 -6.281 0.118 4.428 1.00 0.00 O ATOM 81 CB ILE A 153 -7.838 2.155 3.003 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.969 3.010 2.428 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.648 2.060 2.046 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.142 3.098 3.407 1.00 0.00 C ATOM 0 H ILE A 153 -9.114 1.645 5.125 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.857 0.379 2.503 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.485 2.652 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.598 4.011 2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.309 2.583 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.307 3.063 1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.837 1.513 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -6.951 1.537 1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.932 3.711 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.527 2.097 3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.804 3.548 4.340 1.00 0.00 H new ATOM 96 N ARG A 154 -7.378 -1.437 3.206 1.00 0.00 N ATOM 97 CA ARG A 154 -6.393 -2.480 3.444 1.00 0.00 C ATOM 98 C ARG A 154 -5.967 -3.118 2.120 1.00 0.00 C ATOM 99 O ARG A 154 -6.598 -2.897 1.088 1.00 0.00 O ATOM 100 CB ARG A 154 -6.951 -3.563 4.369 1.00 0.00 C ATOM 101 CG ARG A 154 -8.027 -4.388 3.660 1.00 0.00 C ATOM 102 CD ARG A 154 -9.001 -5.001 4.669 1.00 0.00 C ATOM 103 NE ARG A 154 -10.389 -4.877 4.171 1.00 0.00 N ATOM 104 CZ ARG A 154 -11.481 -5.256 4.869 1.00 0.00 C ATOM 105 NH1 ARG A 154 -11.353 -5.787 6.104 1.00 0.00 N ATOM 106 NH2 ARG A 154 -12.673 -5.099 4.328 1.00 0.00 N ATOM 0 H ARG A 154 -8.165 -1.719 2.622 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.530 -2.019 3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -6.143 -4.217 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.371 -3.102 5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -8.573 -3.756 2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -7.558 -5.179 3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -8.756 -6.051 4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -8.905 -4.499 5.631 1.00 0.00 H new ATOM 0 HE ARG A 154 -10.530 -4.480 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -10.427 -5.904 6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -12.182 -6.071 6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -12.761 -4.696 3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -13.508 -5.380 4.842 1.00 0.00 H new ATOM 120 N GLN A 155 -4.899 -3.897 2.193 1.00 0.00 N ATOM 121 CA GLN A 155 -4.380 -4.570 1.014 1.00 0.00 C ATOM 122 C GLN A 155 -4.551 -6.084 1.149 1.00 0.00 C ATOM 123 O GLN A 155 -3.759 -6.744 1.820 1.00 0.00 O ATOM 124 CB GLN A 155 -2.916 -4.202 0.774 1.00 0.00 C ATOM 125 CG GLN A 155 -2.320 -5.035 -0.364 1.00 0.00 C ATOM 126 CD GLN A 155 -1.020 -5.712 0.074 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.331 -5.268 0.977 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.723 -6.811 -0.616 1.00 0.00 N ATOM 0 H GLN A 155 -4.378 -4.078 3.051 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.951 -4.236 0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.839 -3.142 0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -2.342 -4.364 1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -3.039 -5.791 -0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.129 -4.396 -1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -1.343 -7.129 -1.361 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.125 -7.335 -0.400 1.00 0.00 H new ATOM 196 N PRO A 160 -5.741 -6.199 -5.635 1.00 0.00 N ATOM 197 CA PRO A 160 -4.682 -5.445 -6.283 1.00 0.00 C ATOM 198 C PRO A 160 -4.238 -4.265 -5.415 1.00 0.00 C ATOM 199 O PRO A 160 -5.060 -3.623 -4.765 1.00 0.00 O ATOM 200 CB PRO A 160 -5.268 -5.011 -7.618 1.00 0.00 C ATOM 201 CG PRO A 160 -6.776 -5.139 -7.471 1.00 0.00 C ATOM 202 CD PRO A 160 -7.056 -5.957 -6.221 1.00 0.00 C ATOM 0 HA PRO A 160 -3.777 -6.035 -6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.984 -3.986 -7.855 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.900 -5.639 -8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -7.237 -4.154 -7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -7.205 -5.624 -8.348 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.704 -5.417 -5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.559 -6.893 -6.464 1.00 0.00 H new ATOM 210 N PHE A 161 -2.937 -4.017 -5.432 1.00 0.00 N ATOM 211 CA PHE A 161 -2.372 -2.927 -4.654 1.00 0.00 C ATOM 212 C PHE A 161 -2.842 -1.572 -5.188 1.00 0.00 C ATOM 213 O PHE A 161 -2.847 -0.582 -4.459 1.00 0.00 O ATOM 214 CB PHE A 161 -0.852 -3.017 -4.794 1.00 0.00 C ATOM 215 CG PHE A 161 -0.082 -2.137 -3.809 1.00 0.00 C ATOM 216 CD1 PHE A 161 -0.320 -2.241 -2.475 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.840 -1.247 -4.267 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.395 -1.424 -1.559 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.554 -0.430 -3.352 1.00 0.00 C ATOM 220 CZ PHE A 161 1.316 -0.534 -2.018 1.00 0.00 C ATOM 0 H PHE A 161 -2.257 -4.552 -5.972 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.690 -3.009 -3.615 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.546 -4.054 -4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.574 -2.736 -5.810 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -1.053 -2.945 -2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 161 1.028 -1.162 -5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.208 -1.509 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.287 0.275 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.858 0.090 -1.322 1.00 0.00 H new ATOM 230 N ARG A 162 -3.226 -1.572 -6.456 1.00 0.00 N ATOM 231 CA ARG A 162 -3.696 -0.356 -7.097 1.00 0.00 C ATOM 232 C ARG A 162 -5.009 0.104 -6.461 1.00 0.00 C ATOM 233 O ARG A 162 -5.177 1.285 -6.158 1.00 0.00 O ATOM 234 CB ARG A 162 -3.911 -0.569 -8.595 1.00 0.00 C ATOM 235 CG ARG A 162 -3.428 0.641 -9.397 1.00 0.00 C ATOM 236 CD ARG A 162 -4.483 1.084 -10.411 1.00 0.00 C ATOM 237 NE ARG A 162 -4.429 2.553 -10.589 1.00 0.00 N ATOM 238 CZ ARG A 162 -3.492 3.193 -11.321 1.00 0.00 C ATOM 239 NH1 ARG A 162 -2.521 2.497 -11.951 1.00 0.00 N ATOM 240 NH2 ARG A 162 -3.538 4.509 -11.411 1.00 0.00 N ATOM 0 H ARG A 162 -3.221 -2.396 -7.057 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.932 0.409 -6.958 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -3.376 -1.462 -8.919 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.969 -0.742 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.202 1.464 -8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.502 0.392 -9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.313 0.587 -11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.475 0.787 -10.070 1.00 0.00 H new ATOM 0 HE ARG A 162 -5.144 3.117 -10.130 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -2.492 1.480 -11.876 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -1.817 2.988 -12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -4.274 5.028 -10.932 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -2.838 5.007 -11.960 1.00 0.00 H new ATOM 254 N ASP A 163 -5.909 -0.852 -6.278 1.00 0.00 N ATOM 255 CA ASP A 163 -7.202 -0.559 -5.685 1.00 0.00 C ATOM 256 C ASP A 163 -7.004 -0.122 -4.232 1.00 0.00 C ATOM 257 O ASP A 163 -7.757 0.705 -3.720 1.00 0.00 O ATOM 258 CB ASP A 163 -8.101 -1.797 -5.687 1.00 0.00 C ATOM 259 CG ASP A 163 -8.154 -2.562 -4.363 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.113 -2.903 -3.782 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.340 -2.810 -3.923 1.00 0.00 O ATOM 0 H ASP A 163 -5.767 -1.830 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.672 0.230 -6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -9.113 -1.492 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -7.757 -2.476 -6.468 1.00 0.00 H new ATOM 267 N TYR A 164 -5.987 -0.697 -3.607 1.00 0.00 N ATOM 268 CA TYR A 164 -5.681 -0.377 -2.224 1.00 0.00 C ATOM 269 C TYR A 164 -5.215 1.075 -2.086 1.00 0.00 C ATOM 270 O TYR A 164 -5.628 1.778 -1.165 1.00 0.00 O ATOM 271 CB TYR A 164 -4.534 -1.307 -1.819 1.00 0.00 C ATOM 272 CG TYR A 164 -3.966 -1.024 -0.427 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.818 -0.846 0.643 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.600 -0.948 -0.243 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.282 -0.580 1.954 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.064 -0.682 1.067 1.00 0.00 C ATOM 277 CZ TYR A 164 -2.931 -0.511 2.100 1.00 0.00 C ATOM 278 OH TYR A 164 -2.426 -0.260 3.338 1.00 0.00 O ATOM 0 H TYR A 164 -5.364 -1.383 -4.034 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.564 -0.503 -1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.886 -2.338 -1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.732 -1.219 -2.552 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.887 -0.906 0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -1.933 -1.088 -1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -4.937 -0.439 2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -0.997 -0.620 1.225 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.447 -0.287 3.304 1.00 0.00 H new ATOM 288 N VAL A 165 -4.363 1.480 -3.015 1.00 0.00 N ATOM 289 CA VAL A 165 -3.839 2.835 -3.011 1.00 0.00 C ATOM 290 C VAL A 165 -4.971 3.818 -3.316 1.00 0.00 C ATOM 291 O VAL A 165 -5.081 4.862 -2.674 1.00 0.00 O ATOM 292 CB VAL A 165 -2.670 2.947 -3.992 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.489 4.390 -4.465 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.381 2.407 -3.372 1.00 0.00 C ATOM 0 H VAL A 165 -4.022 0.893 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.446 3.088 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.903 2.336 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.652 4.442 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.398 4.726 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.288 5.032 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.566 2.498 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.141 2.979 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.516 1.358 -3.108 1.00 0.00 H new ATOM 304 N ASP A 166 -5.785 3.449 -4.294 1.00 0.00 N ATOM 305 CA ASP A 166 -6.905 4.284 -4.691 1.00 0.00 C ATOM 306 C ASP A 166 -7.835 4.487 -3.494 1.00 0.00 C ATOM 307 O ASP A 166 -8.322 5.592 -3.262 1.00 0.00 O ATOM 308 CB ASP A 166 -7.713 3.625 -5.810 1.00 0.00 C ATOM 309 CG ASP A 166 -7.149 3.824 -7.218 1.00 0.00 C ATOM 310 OD1 ASP A 166 -5.935 3.702 -7.443 1.00 0.00 O ATOM 311 OD2 ASP A 166 -8.023 4.121 -8.121 1.00 0.00 O ATOM 0 H ASP A 166 -5.691 2.582 -4.823 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.507 5.235 -5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -7.779 2.556 -5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.730 4.017 -5.783 1.00 0.00 H new ATOM 317 N ARG A 167 -8.052 3.403 -2.764 1.00 0.00 N ATOM 318 CA ARG A 167 -8.915 3.448 -1.595 1.00 0.00 C ATOM 319 C ARG A 167 -8.273 4.293 -0.495 1.00 0.00 C ATOM 320 O ARG A 167 -8.940 5.120 0.127 1.00 0.00 O ATOM 321 CB ARG A 167 -9.185 2.042 -1.055 1.00 0.00 C ATOM 322 CG ARG A 167 -10.627 1.913 -0.559 1.00 0.00 C ATOM 323 CD ARG A 167 -11.615 1.971 -1.724 1.00 0.00 C ATOM 324 NE ARG A 167 -12.968 1.588 -1.261 1.00 0.00 N ATOM 325 CZ ARG A 167 -13.327 0.328 -0.931 1.00 0.00 C ATOM 326 NH1 ARG A 167 -12.434 -0.681 -1.014 1.00 0.00 N ATOM 327 NH2 ARG A 167 -14.563 0.100 -0.530 1.00 0.00 N ATOM 0 H ARG A 167 -7.645 2.488 -2.959 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.861 3.897 -1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.998 1.306 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.495 1.823 -0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.748 0.972 -0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -10.845 2.714 0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -11.637 2.977 -2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.291 1.301 -2.520 1.00 0.00 H new ATOM 0 HE ARG A 167 -13.673 2.321 -1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -11.481 -0.494 -1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -12.712 -1.630 -0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -15.231 0.869 -0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -14.851 -0.845 -0.277 1.00 0.00 H new ATOM 341 N PHE A 168 -6.986 4.059 -0.285 1.00 0.00 N ATOM 342 CA PHE A 168 -6.247 4.789 0.730 1.00 0.00 C ATOM 343 C PHE A 168 -6.293 6.295 0.465 1.00 0.00 C ATOM 344 O PHE A 168 -6.563 7.080 1.372 1.00 0.00 O ATOM 345 CB PHE A 168 -4.794 4.313 0.655 1.00 0.00 C ATOM 346 CG PHE A 168 -3.900 4.866 1.766 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.333 6.095 1.636 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.672 4.129 2.886 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.503 6.609 2.668 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.842 4.641 3.917 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.276 5.871 3.786 1.00 0.00 C ATOM 0 H PHE A 168 -6.436 3.373 -0.802 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.684 4.607 1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.777 3.224 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.377 4.601 -0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.514 6.681 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.123 3.153 2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.053 7.585 2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.660 4.054 4.805 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.646 6.261 4.571 1.00 0.00 H new ATOM 361 N TYR A 169 -6.024 6.652 -0.782 1.00 0.00 N ATOM 362 CA TYR A 169 -6.032 8.050 -1.178 1.00 0.00 C ATOM 363 C TYR A 169 -7.462 8.569 -1.328 1.00 0.00 C ATOM 364 O TYR A 169 -7.698 9.776 -1.273 1.00 0.00 O ATOM 365 CB TYR A 169 -5.335 8.107 -2.540 1.00 0.00 C ATOM 366 CG TYR A 169 -3.809 8.049 -2.461 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.193 7.057 -1.726 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.049 8.989 -3.126 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.756 7.001 -1.653 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.612 8.935 -3.052 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.036 7.945 -2.319 1.00 0.00 C ATOM 372 OH TYR A 169 0.322 7.894 -2.250 1.00 0.00 O ATOM 0 H TYR A 169 -5.799 5.998 -1.531 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.534 8.664 -0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.689 7.278 -3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.628 9.026 -3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.789 6.322 -1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.532 9.765 -3.702 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.261 6.228 -1.083 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.005 9.665 -3.567 1.00 0.00 H new ATOM 0 HH TYR A 169 0.704 8.629 -2.774 1.00 0.00 H new ATOM 382 N LYS A 170 -8.381 7.634 -1.514 1.00 0.00 N ATOM 383 CA LYS A 170 -9.784 7.983 -1.672 1.00 0.00 C ATOM 384 C LYS A 170 -10.345 8.440 -0.324 1.00 0.00 C ATOM 385 O LYS A 170 -11.057 9.442 -0.252 1.00 0.00 O ATOM 386 CB LYS A 170 -10.557 6.821 -2.299 1.00 0.00 C ATOM 387 CG LYS A 170 -10.565 6.927 -3.825 1.00 0.00 C ATOM 388 CD LYS A 170 -10.795 5.559 -4.468 1.00 0.00 C ATOM 389 CE LYS A 170 -12.262 5.379 -4.865 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.501 4.006 -5.363 1.00 0.00 N ATOM 0 H LYS A 170 -8.183 6.634 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.895 8.818 -2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.105 5.875 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.581 6.818 -1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.347 7.617 -4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.617 7.340 -4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.161 5.456 -5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -10.504 4.772 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.904 5.577 -4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -12.527 6.103 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -13.501 3.902 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -11.903 3.829 -6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -12.267 3.320 -4.617 1.00 0.00 H new ATOM 404 N THR A 171 -10.005 7.686 0.711 1.00 0.00 N ATOM 405 CA THR A 171 -10.468 8.001 2.050 1.00 0.00 C ATOM 406 C THR A 171 -9.698 9.199 2.612 1.00 0.00 C ATOM 407 O THR A 171 -10.273 10.052 3.285 1.00 0.00 O ATOM 408 CB THR A 171 -10.337 6.739 2.905 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.310 5.850 2.363 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.796 6.959 4.348 1.00 0.00 C ATOM 0 H THR A 171 -9.414 6.857 0.648 1.00 0.00 H new ATOM 0 HA THR A 171 -11.516 8.301 2.046 1.00 0.00 H new ATOM 0 HB THR A 171 -9.300 6.404 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.914 5.344 1.623 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.682 6.033 4.911 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.190 7.740 4.808 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.843 7.261 4.355 1.00 0.00 H new ATOM 418 N LEU A 172 -8.406 9.223 2.315 1.00 0.00 N ATOM 419 CA LEU A 172 -7.550 10.300 2.781 1.00 0.00 C ATOM 420 C LEU A 172 -8.106 11.637 2.286 1.00 0.00 C ATOM 421 O LEU A 172 -8.272 12.572 3.068 1.00 0.00 O ATOM 422 CB LEU A 172 -6.099 10.048 2.371 1.00 0.00 C ATOM 423 CG LEU A 172 -5.599 10.831 1.156 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.567 12.332 1.448 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.239 10.309 0.689 1.00 0.00 C ATOM 0 H LEU A 172 -7.932 8.513 1.757 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.546 10.339 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.457 10.284 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -5.980 8.984 2.167 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.301 10.677 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.208 12.866 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.571 12.676 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.899 12.525 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -3.906 10.883 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.513 10.414 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.327 9.258 0.415 1.00 0.00 H new ATOM 437 N ARG A 173 -8.378 11.686 0.990 1.00 0.00 N ATOM 438 CA ARG A 173 -8.910 12.892 0.381 1.00 0.00 C ATOM 439 C ARG A 173 -10.316 13.177 0.912 1.00 0.00 C ATOM 440 O ARG A 173 -10.874 14.246 0.660 1.00 0.00 O ATOM 441 CB ARG A 173 -8.965 12.763 -1.143 1.00 0.00 C ATOM 442 CG ARG A 173 -7.622 13.143 -1.772 1.00 0.00 C ATOM 443 CD ARG A 173 -7.779 13.417 -3.271 1.00 0.00 C ATOM 444 NE ARG A 173 -7.100 12.357 -4.052 1.00 0.00 N ATOM 445 CZ ARG A 173 -6.733 12.487 -5.344 1.00 0.00 C ATOM 446 NH1 ARG A 173 -6.975 13.634 -6.013 1.00 0.00 N ATOM 447 NH2 ARG A 173 -6.132 11.476 -5.942 1.00 0.00 N ATOM 0 H ARG A 173 -8.239 10.908 0.345 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.245 13.716 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.223 11.740 -1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -9.751 13.406 -1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -7.221 14.027 -1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -6.903 12.338 -1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -8.836 13.454 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -7.355 14.390 -3.518 1.00 0.00 H new ATOM 0 HE ARG A 173 -6.897 11.474 -3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -7.439 14.411 -5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -6.694 13.724 -6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -5.952 10.614 -5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -5.848 11.557 -6.918 1.00 0.00 H new ATOM 461 N ALA A 174 -10.849 12.205 1.636 1.00 0.00 N ATOM 462 CA ALA A 174 -12.180 12.338 2.204 1.00 0.00 C ATOM 463 C ALA A 174 -12.087 13.077 3.542 1.00 0.00 C ATOM 464 O ALA A 174 -13.108 13.417 4.140 1.00 0.00 O ATOM 465 CB ALA A 174 -12.817 10.954 2.345 1.00 0.00 C ATOM 0 H ALA A 174 -10.383 11.321 1.843 1.00 0.00 H new ATOM 0 HA ALA A 174 -12.821 12.925 1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -13.815 11.055 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -12.887 10.484 1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.203 10.336 3.000 1.00 0.00 H new ATOM 630 N THR A 186 1.310 9.037 4.746 1.00 0.00 N ATOM 631 CA THR A 186 0.474 8.232 3.870 1.00 0.00 C ATOM 632 C THR A 186 1.180 6.923 3.514 1.00 0.00 C ATOM 633 O THR A 186 0.528 5.919 3.235 1.00 0.00 O ATOM 634 CB THR A 186 0.114 9.080 2.649 1.00 0.00 C ATOM 635 OG1 THR A 186 -1.194 9.566 2.937 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.072 8.238 1.385 1.00 0.00 C ATOM 0 HA THR A 186 -0.452 7.941 4.365 1.00 0.00 H new ATOM 0 HB THR A 186 0.895 9.821 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 186 -1.441 10.250 2.280 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.326 8.889 0.548 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.853 7.706 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.876 7.518 1.542 1.00 0.00 H new ATOM 644 N GLU A 187 2.504 6.976 3.536 1.00 0.00 N ATOM 645 CA GLU A 187 3.306 5.807 3.218 1.00 0.00 C ATOM 646 C GLU A 187 3.354 4.856 4.416 1.00 0.00 C ATOM 647 O GLU A 187 3.229 3.643 4.255 1.00 0.00 O ATOM 648 CB GLU A 187 4.715 6.210 2.781 1.00 0.00 C ATOM 649 CG GLU A 187 5.672 5.017 2.842 1.00 0.00 C ATOM 650 CD GLU A 187 6.152 4.772 4.273 1.00 0.00 C ATOM 651 OE1 GLU A 187 5.732 3.794 4.910 1.00 0.00 O ATOM 652 OE2 GLU A 187 6.993 5.640 4.723 1.00 0.00 O ATOM 0 H GLU A 187 3.041 7.811 3.769 1.00 0.00 H new ATOM 0 HA GLU A 187 2.838 5.286 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.685 6.605 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 187 5.084 7.010 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 187 5.172 4.125 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 187 6.529 5.200 2.194 1.00 0.00 H new ATOM 660 N THR A 188 3.537 5.442 5.589 1.00 0.00 N ATOM 661 CA THR A 188 3.602 4.662 6.813 1.00 0.00 C ATOM 662 C THR A 188 2.253 3.998 7.097 1.00 0.00 C ATOM 663 O THR A 188 2.203 2.868 7.582 1.00 0.00 O ATOM 664 CB THR A 188 4.073 5.586 7.939 1.00 0.00 C ATOM 665 OG1 THR A 188 4.101 4.746 9.089 1.00 0.00 O ATOM 666 CG2 THR A 188 3.037 6.658 8.286 1.00 0.00 C ATOM 0 H THR A 188 3.642 6.448 5.718 1.00 0.00 H new ATOM 0 HA THR A 188 4.318 3.845 6.722 1.00 0.00 H new ATOM 0 HB THR A 188 5.009 6.064 7.649 1.00 0.00 H new ATOM 0 HG1 THR A 188 4.397 5.265 9.866 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.419 7.287 9.090 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.840 7.272 7.407 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.112 6.179 8.608 1.00 0.00 H new ATOM 674 N LEU A 189 1.193 4.726 6.781 1.00 0.00 N ATOM 675 CA LEU A 189 -0.152 4.223 6.996 1.00 0.00 C ATOM 676 C LEU A 189 -0.457 3.139 5.958 1.00 0.00 C ATOM 677 O LEU A 189 -0.964 2.072 6.300 1.00 0.00 O ATOM 678 CB LEU A 189 -1.161 5.373 6.998 1.00 0.00 C ATOM 679 CG LEU A 189 -1.704 5.785 8.367 1.00 0.00 C ATOM 680 CD1 LEU A 189 -0.593 5.791 9.419 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.427 7.131 8.289 1.00 0.00 C ATOM 0 H LEU A 189 1.239 5.662 6.377 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.233 3.758 7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.692 6.243 6.538 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.003 5.093 6.364 1.00 0.00 H new ATOM 0 HG LEU A 189 -2.439 5.043 8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -1.006 6.087 10.383 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -0.163 4.793 9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 189 0.183 6.497 9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.803 7.400 9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -1.733 7.897 7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -3.261 7.056 7.591 1.00 0.00 H new ATOM 693 N LEU A 190 -0.137 3.451 4.711 1.00 0.00 N ATOM 694 CA LEU A 190 -0.370 2.518 3.622 1.00 0.00 C ATOM 695 C LEU A 190 0.411 1.229 3.885 1.00 0.00 C ATOM 696 O LEU A 190 -0.113 0.133 3.694 1.00 0.00 O ATOM 697 CB LEU A 190 -0.044 3.172 2.278 1.00 0.00 C ATOM 698 CG LEU A 190 -0.161 2.270 1.048 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.453 2.555 0.279 1.00 0.00 C ATOM 700 CD2 LEU A 190 1.076 2.395 0.155 1.00 0.00 C ATOM 0 H LEU A 190 0.282 4.338 4.430 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.425 2.247 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -0.707 4.026 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.973 3.562 2.323 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.210 1.236 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.511 1.900 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.310 2.374 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.460 3.595 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.966 1.743 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.181 3.427 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.962 2.103 0.718 1.00 0.00 H new ATOM 712 N VAL A 191 1.650 1.404 4.320 1.00 0.00 N ATOM 713 CA VAL A 191 2.508 0.267 4.611 1.00 0.00 C ATOM 714 C VAL A 191 1.976 -0.467 5.843 1.00 0.00 C ATOM 715 O VAL A 191 1.855 -1.691 5.836 1.00 0.00 O ATOM 716 CB VAL A 191 3.957 0.735 4.773 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.817 -0.362 5.405 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.540 1.185 3.433 1.00 0.00 C ATOM 0 H VAL A 191 2.080 2.315 4.478 1.00 0.00 H new ATOM 0 HA VAL A 191 2.498 -0.441 3.782 1.00 0.00 H new ATOM 0 HB VAL A 191 3.961 1.594 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.842 -0.006 5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.419 -0.616 6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.804 -1.247 4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.570 1.512 3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.518 0.353 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.948 2.011 3.038 1.00 0.00 H new ATOM 728 N GLN A 192 1.669 0.312 6.869 1.00 0.00 N ATOM 729 CA GLN A 192 1.151 -0.249 8.105 1.00 0.00 C ATOM 730 C GLN A 192 -0.209 -0.906 7.861 1.00 0.00 C ATOM 731 O GLN A 192 -0.509 -1.953 8.434 1.00 0.00 O ATOM 732 CB GLN A 192 1.054 0.821 9.195 1.00 0.00 C ATOM 733 CG GLN A 192 2.406 1.026 9.882 1.00 0.00 C ATOM 734 CD GLN A 192 2.241 1.780 11.204 1.00 0.00 C ATOM 735 OE1 GLN A 192 1.154 1.909 11.743 1.00 0.00 O ATOM 736 NE2 GLN A 192 3.377 2.268 11.694 1.00 0.00 N ATOM 0 H GLN A 192 1.769 1.327 6.870 1.00 0.00 H new ATOM 0 HA GLN A 192 1.846 -1.014 8.453 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.717 1.761 8.758 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.308 0.527 9.933 1.00 0.00 H new ATOM 0 HG2 GLN A 192 2.874 0.059 10.067 1.00 0.00 H new ATOM 0 HG3 GLN A 192 3.072 1.582 9.223 1.00 0.00 H new ATOM 0 HE21 GLN A 192 4.253 2.124 11.191 1.00 0.00 H new ATOM 0 HE22 GLN A 192 3.372 2.787 12.572 1.00 0.00 H new ATOM 745 N ASN A 193 -0.997 -0.264 7.011 1.00 0.00 N ATOM 746 CA ASN A 193 -2.317 -0.774 6.684 1.00 0.00 C ATOM 747 C ASN A 193 -2.210 -1.743 5.507 1.00 0.00 C ATOM 748 O ASN A 193 -3.219 -2.134 4.923 1.00 0.00 O ATOM 749 CB ASN A 193 -3.261 0.361 6.278 1.00 0.00 C ATOM 750 CG ASN A 193 -4.722 -0.040 6.482 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.537 0.983 6.724 1.00 0.00 O flip ATOM 752 ND2 ASN A 193 -5.087 -1.203 6.422 1.00 0.00 N flip ATOM 0 H ASN A 193 -0.746 0.605 6.539 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.712 -1.274 7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.039 1.251 6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.094 0.621 5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -4.409 -1.941 6.232 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -6.070 -1.437 6.561 1.00 0.00 H new ATOM 759 N ALA A 194 -0.974 -2.104 5.191 1.00 0.00 N ATOM 760 CA ALA A 194 -0.719 -3.020 4.092 1.00 0.00 C ATOM 761 C ALA A 194 -0.437 -4.416 4.653 1.00 0.00 C ATOM 762 O ALA A 194 -0.030 -4.555 5.806 1.00 0.00 O ATOM 763 CB ALA A 194 0.436 -2.490 3.241 1.00 0.00 C ATOM 0 H ALA A 194 -0.139 -1.778 5.677 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.593 -3.094 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.626 -3.178 2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.174 -1.510 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.332 -2.404 3.856 1.00 0.00 H new ATOM 769 N ASN A 195 -0.664 -5.415 3.813 1.00 0.00 N ATOM 770 CA ASN A 195 -0.440 -6.794 4.210 1.00 0.00 C ATOM 771 C ASN A 195 0.939 -6.913 4.864 1.00 0.00 C ATOM 772 O ASN A 195 1.695 -5.944 4.910 1.00 0.00 O ATOM 773 CB ASN A 195 -0.471 -7.729 3.000 1.00 0.00 C ATOM 774 CG ASN A 195 -1.606 -8.748 3.123 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.753 -8.231 3.552 1.00 0.00 O flip ATOM 776 ND2 ASN A 195 -1.449 -9.925 2.845 1.00 0.00 N flip ATOM 0 H ASN A 195 -1.001 -5.296 2.858 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.231 -7.078 4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.599 -7.145 2.088 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.483 -8.250 2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -0.540 -10.256 2.521 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -2.227 -10.579 2.937 1.00 0.00 H new ATOM 783 N PRO A 196 1.231 -8.143 5.367 1.00 0.00 N ATOM 784 CA PRO A 196 2.506 -8.402 6.016 1.00 0.00 C ATOM 785 C PRO A 196 3.632 -8.516 4.987 1.00 0.00 C ATOM 786 O PRO A 196 4.659 -7.850 5.109 1.00 0.00 O ATOM 787 CB PRO A 196 2.291 -9.682 6.806 1.00 0.00 C ATOM 788 CG PRO A 196 1.061 -10.342 6.205 1.00 0.00 C ATOM 789 CD PRO A 196 0.361 -9.314 5.330 1.00 0.00 C ATOM 0 HA PRO A 196 2.816 -7.590 6.674 1.00 0.00 H new ATOM 0 HB2 PRO A 196 3.160 -10.336 6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 196 2.141 -9.467 7.864 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.345 -11.214 5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.393 -10.692 6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.234 -9.681 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.633 -9.081 5.711 1.00 0.00 H new ATOM 797 N ASP A 197 3.400 -9.364 3.995 1.00 0.00 N ATOM 798 CA ASP A 197 4.384 -9.574 2.945 1.00 0.00 C ATOM 799 C ASP A 197 4.816 -8.220 2.379 1.00 0.00 C ATOM 800 O ASP A 197 6.004 -7.905 2.352 1.00 0.00 O ATOM 801 CB ASP A 197 3.797 -10.401 1.799 1.00 0.00 C ATOM 802 CG ASP A 197 3.264 -11.777 2.202 1.00 0.00 C ATOM 803 OD1 ASP A 197 4.014 -12.763 2.249 1.00 0.00 O ATOM 804 OD2 ASP A 197 2.005 -11.815 2.477 1.00 0.00 O ATOM 0 H ASP A 197 2.546 -9.913 3.896 1.00 0.00 H new ATOM 0 HA ASP A 197 5.231 -10.107 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.987 -9.834 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.565 -10.534 1.037 1.00 0.00 H new ATOM 810 N CYS A 198 3.827 -7.456 1.940 1.00 0.00 N ATOM 811 CA CYS A 198 4.088 -6.143 1.376 1.00 0.00 C ATOM 812 C CYS A 198 4.888 -5.331 2.398 1.00 0.00 C ATOM 813 O CYS A 198 5.784 -4.574 2.032 1.00 0.00 O ATOM 814 CB CYS A 198 2.795 -5.432 0.970 1.00 0.00 C ATOM 815 SG CYS A 198 3.185 -3.949 -0.030 1.00 0.00 S ATOM 0 H CYS A 198 2.842 -7.722 1.964 1.00 0.00 H new ATOM 0 HA CYS A 198 4.670 -6.249 0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.161 -6.110 0.398 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.234 -5.144 1.859 1.00 0.00 H new ATOM 0 HG CYS A 198 2.081 -3.353 -0.372 1.00 0.00 H new ATOM 821 N LYS A 199 4.533 -5.518 3.662 1.00 0.00 N ATOM 822 CA LYS A 199 5.205 -4.812 4.740 1.00 0.00 C ATOM 823 C LYS A 199 6.697 -5.152 4.712 1.00 0.00 C ATOM 824 O LYS A 199 7.541 -4.265 4.831 1.00 0.00 O ATOM 825 CB LYS A 199 4.531 -5.113 6.079 1.00 0.00 C ATOM 826 CG LYS A 199 4.918 -4.075 7.133 1.00 0.00 C ATOM 827 CD LYS A 199 3.692 -3.615 7.926 1.00 0.00 C ATOM 828 CE LYS A 199 3.792 -4.053 9.389 1.00 0.00 C ATOM 829 NZ LYS A 199 2.490 -3.876 10.072 1.00 0.00 N ATOM 0 H LYS A 199 3.789 -6.148 3.963 1.00 0.00 H new ATOM 0 HA LYS A 199 5.120 -3.734 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.448 -5.121 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 199 4.819 -6.107 6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 199 5.657 -4.500 7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.386 -3.217 6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 199 3.605 -2.530 7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 199 2.788 -4.029 7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 199 4.098 -5.098 9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 199 4.559 -3.469 9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 2.574 -4.178 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 2.213 -2.874 10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 1.767 -4.452 9.595 1.00 0.00 H new ATOM 843 N THR A 200 6.977 -6.437 4.553 1.00 0.00 N ATOM 844 CA THR A 200 8.352 -6.904 4.509 1.00 0.00 C ATOM 845 C THR A 200 9.071 -6.328 3.287 1.00 0.00 C ATOM 846 O THR A 200 10.227 -5.919 3.380 1.00 0.00 O ATOM 847 CB THR A 200 8.334 -8.433 4.538 1.00 0.00 C ATOM 848 OG1 THR A 200 7.689 -8.750 5.770 1.00 0.00 O ATOM 849 CG2 THR A 200 9.733 -9.034 4.685 1.00 0.00 C ATOM 0 H THR A 200 6.275 -7.170 4.453 1.00 0.00 H new ATOM 0 HA THR A 200 8.916 -6.555 5.374 1.00 0.00 H new ATOM 0 HB THR A 200 7.873 -8.807 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.633 -9.723 5.869 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.662 -10.122 4.700 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.353 -8.722 3.844 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.182 -8.687 5.615 1.00 0.00 H new ATOM 857 N ILE A 201 8.358 -6.315 2.172 1.00 0.00 N ATOM 858 CA ILE A 201 8.913 -5.796 0.934 1.00 0.00 C ATOM 859 C ILE A 201 9.189 -4.299 1.091 1.00 0.00 C ATOM 860 O ILE A 201 10.185 -3.791 0.581 1.00 0.00 O ATOM 861 CB ILE A 201 7.998 -6.131 -0.247 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.342 -7.502 -0.059 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.756 -6.035 -1.572 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.375 -8.307 -1.359 1.00 0.00 C ATOM 0 H ILE A 201 7.399 -6.656 2.099 1.00 0.00 H new ATOM 0 HA ILE A 201 9.867 -6.276 0.715 1.00 0.00 H new ATOM 0 HB ILE A 201 7.197 -5.392 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.859 -8.052 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.310 -7.374 0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 201 8.083 -6.278 -2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 201 9.136 -5.022 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.590 -6.737 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.903 -9.276 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.836 -7.765 -2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.409 -8.454 -1.670 1.00 0.00 H new ATOM 876 N LEU A 202 8.288 -3.635 1.799 1.00 0.00 N ATOM 877 CA LEU A 202 8.421 -2.207 2.031 1.00 0.00 C ATOM 878 C LEU A 202 9.601 -1.955 2.971 1.00 0.00 C ATOM 879 O LEU A 202 10.303 -0.955 2.838 1.00 0.00 O ATOM 880 CB LEU A 202 7.099 -1.619 2.531 1.00 0.00 C ATOM 881 CG LEU A 202 5.966 -1.550 1.507 1.00 0.00 C ATOM 882 CD1 LEU A 202 4.602 -1.676 2.189 1.00 0.00 C ATOM 883 CD2 LEU A 202 6.068 -0.278 0.661 1.00 0.00 C ATOM 0 H LEU A 202 7.462 -4.060 2.220 1.00 0.00 H new ATOM 0 HA LEU A 202 8.640 -1.689 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.759 -2.212 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.289 -0.612 2.901 1.00 0.00 H new ATOM 0 HG LEU A 202 6.067 -2.397 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.814 -1.624 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.543 -2.631 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 202 4.476 -0.863 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.250 -0.254 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.007 0.596 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 202 7.020 -0.270 0.130 1.00 0.00 H new ATOM 895 N LYS A 203 9.784 -2.881 3.901 1.00 0.00 N ATOM 896 CA LYS A 203 10.867 -2.773 4.864 1.00 0.00 C ATOM 897 C LYS A 203 12.204 -2.946 4.142 1.00 0.00 C ATOM 898 O LYS A 203 13.189 -2.296 4.487 1.00 0.00 O ATOM 899 CB LYS A 203 10.659 -3.755 6.019 1.00 0.00 C ATOM 900 CG LYS A 203 10.402 -3.012 7.331 1.00 0.00 C ATOM 901 CD LYS A 203 10.355 -3.986 8.510 1.00 0.00 C ATOM 902 CE LYS A 203 8.932 -4.504 8.737 1.00 0.00 C ATOM 903 NZ LYS A 203 8.959 -5.922 9.158 1.00 0.00 N ATOM 0 H LYS A 203 9.200 -3.710 4.008 1.00 0.00 H new ATOM 0 HA LYS A 203 10.875 -1.782 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 203 9.817 -4.410 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.538 -4.391 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 203 11.187 -2.274 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.460 -2.467 7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 203 11.025 -4.824 8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.713 -3.489 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 203 8.436 -3.902 9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 203 8.351 -4.401 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.986 -6.258 9.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 9.413 -6.495 8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 9.496 -6.011 10.044 1.00 0.00 H new ATOM 917 N ALA A 204 12.195 -3.825 3.151 1.00 0.00 N ATOM 918 CA ALA A 204 13.395 -4.094 2.377 1.00 0.00 C ATOM 919 C ALA A 204 13.603 -2.968 1.361 1.00 0.00 C ATOM 920 O ALA A 204 14.728 -2.709 0.937 1.00 0.00 O ATOM 921 CB ALA A 204 13.279 -5.466 1.712 1.00 0.00 C ATOM 0 H ALA A 204 11.375 -4.361 2.866 1.00 0.00 H new ATOM 0 HA ALA A 204 14.271 -4.121 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.180 -5.666 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.163 -6.233 2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.412 -5.478 1.052 1.00 0.00 H new ATOM 927 N LEU A 205 12.500 -2.330 0.999 1.00 0.00 N ATOM 928 CA LEU A 205 12.546 -1.240 0.039 1.00 0.00 C ATOM 929 C LEU A 205 13.478 -0.145 0.564 1.00 0.00 C ATOM 930 O LEU A 205 14.643 -0.079 0.177 1.00 0.00 O ATOM 931 CB LEU A 205 11.133 -0.745 -0.278 1.00 0.00 C ATOM 932 CG LEU A 205 10.730 -0.769 -1.753 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.300 -2.174 -2.181 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.651 0.275 -2.044 1.00 0.00 C ATOM 0 H LEU A 205 11.568 -2.547 1.353 1.00 0.00 H new ATOM 0 HA LEU A 205 12.958 -1.584 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.422 -1.352 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 205 11.037 0.277 0.088 1.00 0.00 H new ATOM 0 HG LEU A 205 11.603 -0.504 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 205 10.018 -2.163 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.127 -2.868 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.448 -2.492 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.383 0.237 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 205 8.770 0.066 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.031 1.268 -1.802 1.00 0.00 H new ATOM 946 N GLY A 206 12.929 0.687 1.436 1.00 0.00 N ATOM 947 CA GLY A 206 13.696 1.775 2.018 1.00 0.00 C ATOM 948 C GLY A 206 12.817 2.644 2.921 1.00 0.00 C ATOM 949 O GLY A 206 11.602 2.702 2.741 1.00 0.00 O ATOM 0 H GLY A 206 11.962 0.630 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.528 1.370 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 206 14.126 2.387 1.225 1.00 0.00 H new ATOM 953 N PRO A 207 13.485 3.316 3.898 1.00 0.00 N ATOM 954 CA PRO A 207 12.778 4.178 4.829 1.00 0.00 C ATOM 955 C PRO A 207 12.370 5.491 4.157 1.00 0.00 C ATOM 956 O PRO A 207 12.725 6.571 4.628 1.00 0.00 O ATOM 957 CB PRO A 207 13.742 4.379 5.987 1.00 0.00 C ATOM 958 CG PRO A 207 15.117 4.006 5.456 1.00 0.00 C ATOM 959 CD PRO A 207 14.923 3.271 4.140 1.00 0.00 C ATOM 0 HA PRO A 207 11.841 3.743 5.178 1.00 0.00 H new ATOM 0 HB2 PRO A 207 13.725 5.412 6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 207 13.468 3.753 6.836 1.00 0.00 H new ATOM 0 HG2 PRO A 207 15.725 4.899 5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 207 15.645 3.375 6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 207 15.475 3.752 3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 207 15.282 2.244 4.204 1.00 0.00 H new ATOM 967 N GLY A 208 11.627 5.356 3.069 1.00 0.00 N ATOM 968 CA GLY A 208 11.166 6.518 2.328 1.00 0.00 C ATOM 969 C GLY A 208 10.999 6.191 0.843 1.00 0.00 C ATOM 970 O GLY A 208 11.433 6.955 -0.018 1.00 0.00 O ATOM 0 H GLY A 208 11.332 4.459 2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 208 10.216 6.861 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.878 7.335 2.446 1.00 0.00 H new ATOM 974 N ALA A 209 10.369 5.053 0.587 1.00 0.00 N ATOM 975 CA ALA A 209 10.139 4.615 -0.779 1.00 0.00 C ATOM 976 C ALA A 209 8.925 5.351 -1.349 1.00 0.00 C ATOM 977 O ALA A 209 8.096 5.861 -0.597 1.00 0.00 O ATOM 978 CB ALA A 209 9.966 3.096 -0.806 1.00 0.00 C ATOM 0 H ALA A 209 10.011 4.421 1.303 1.00 0.00 H new ATOM 0 HA ALA A 209 10.996 4.856 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 209 9.793 2.768 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 209 10.867 2.620 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.114 2.816 -0.187 1.00 0.00 H new ATOM 984 N THR A 210 8.859 5.383 -2.671 1.00 0.00 N ATOM 985 CA THR A 210 7.760 6.050 -3.350 1.00 0.00 C ATOM 986 C THR A 210 6.644 5.051 -3.661 1.00 0.00 C ATOM 987 O THR A 210 6.875 3.844 -3.687 1.00 0.00 O ATOM 988 CB THR A 210 8.323 6.739 -4.596 1.00 0.00 C ATOM 989 OG1 THR A 210 7.216 7.467 -5.118 1.00 0.00 O ATOM 990 CG2 THR A 210 8.676 5.748 -5.705 1.00 0.00 C ATOM 0 H THR A 210 9.548 4.958 -3.291 1.00 0.00 H new ATOM 0 HA THR A 210 7.306 6.812 -2.717 1.00 0.00 H new ATOM 0 HB THR A 210 9.211 7.310 -4.326 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.492 7.946 -5.927 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.071 6.289 -6.565 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.428 5.047 -5.341 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.782 5.199 -6.001 1.00 0.00 H new ATOM 998 N LEU A 211 5.457 5.593 -3.889 1.00 0.00 N ATOM 999 CA LEU A 211 4.303 4.766 -4.197 1.00 0.00 C ATOM 1000 C LEU A 211 4.651 3.824 -5.352 1.00 0.00 C ATOM 1001 O LEU A 211 4.218 2.672 -5.371 1.00 0.00 O ATOM 1002 CB LEU A 211 3.073 5.637 -4.464 1.00 0.00 C ATOM 1003 CG LEU A 211 1.721 5.016 -4.110 1.00 0.00 C ATOM 1004 CD1 LEU A 211 1.344 3.920 -5.107 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.713 4.505 -2.666 1.00 0.00 C ATOM 0 H LEU A 211 5.269 6.595 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 211 4.043 4.142 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.182 6.566 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.063 5.902 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 211 0.959 5.792 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 211 0.379 3.495 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 211 1.282 4.345 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.103 3.137 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.740 4.068 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 211 2.488 3.748 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.905 5.334 -1.985 1.00 0.00 H new ATOM 1017 N GLU A 212 5.427 4.348 -6.288 1.00 0.00 N ATOM 1018 CA GLU A 212 5.838 3.569 -7.442 1.00 0.00 C ATOM 1019 C GLU A 212 6.639 2.342 -7.000 1.00 0.00 C ATOM 1020 O GLU A 212 6.391 1.232 -7.467 1.00 0.00 O ATOM 1021 CB GLU A 212 6.642 4.423 -8.424 1.00 0.00 C ATOM 1022 CG GLU A 212 6.158 4.212 -9.860 1.00 0.00 C ATOM 1023 CD GLU A 212 6.816 5.214 -10.813 1.00 0.00 C ATOM 1024 OE1 GLU A 212 6.284 6.314 -11.020 1.00 0.00 O ATOM 1025 OE2 GLU A 212 7.921 4.814 -11.345 1.00 0.00 O ATOM 0 H GLU A 212 5.782 5.304 -6.271 1.00 0.00 H new ATOM 0 HA GLU A 212 4.942 3.226 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.549 5.476 -8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.699 4.168 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 212 6.388 3.196 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.074 4.322 -9.902 1.00 0.00 H new ATOM 1033 N GLU A 213 7.582 2.586 -6.102 1.00 0.00 N ATOM 1034 CA GLU A 213 8.421 1.515 -5.590 1.00 0.00 C ATOM 1035 C GLU A 213 7.575 0.499 -4.821 1.00 0.00 C ATOM 1036 O GLU A 213 7.835 -0.702 -4.879 1.00 0.00 O ATOM 1037 CB GLU A 213 9.544 2.071 -4.711 1.00 0.00 C ATOM 1038 CG GLU A 213 10.728 1.104 -4.656 1.00 0.00 C ATOM 1039 CD GLU A 213 11.528 1.143 -5.959 1.00 0.00 C ATOM 1040 OE1 GLU A 213 10.951 1.359 -7.036 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.796 0.940 -5.828 1.00 0.00 O ATOM 0 H GLU A 213 7.784 3.508 -5.716 1.00 0.00 H new ATOM 0 HA GLU A 213 8.884 1.007 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.874 3.033 -5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.168 2.248 -3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.376 1.364 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.367 0.091 -4.477 1.00 0.00 H new ATOM 1049 N MET A 214 6.578 1.018 -4.117 1.00 0.00 N ATOM 1050 CA MET A 214 5.693 0.171 -3.337 1.00 0.00 C ATOM 1051 C MET A 214 4.918 -0.790 -4.241 1.00 0.00 C ATOM 1052 O MET A 214 4.782 -1.971 -3.927 1.00 0.00 O ATOM 1053 CB MET A 214 4.708 1.045 -2.556 1.00 0.00 C ATOM 1054 CG MET A 214 5.445 1.958 -1.576 1.00 0.00 C ATOM 1055 SD MET A 214 4.411 2.294 -0.160 1.00 0.00 S ATOM 1056 CE MET A 214 4.339 4.076 -0.245 1.00 0.00 C ATOM 0 H MET A 214 6.365 2.014 -4.071 1.00 0.00 H new ATOM 0 HA MET A 214 6.297 -0.417 -2.646 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.122 1.648 -3.250 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.007 0.412 -2.012 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.374 1.486 -1.255 1.00 0.00 H new ATOM 0 HG3 MET A 214 5.715 2.892 -2.069 1.00 0.00 H new ATOM 0 HE1 MET A 214 3.509 4.436 0.363 1.00 0.00 H new ATOM 0 HE2 MET A 214 5.272 4.496 0.129 1.00 0.00 H new ATOM 0 HE3 MET A 214 4.191 4.385 -1.280 1.00 0.00 H new ATOM 1066 N MET A 215 4.428 -0.247 -5.346 1.00 0.00 N ATOM 1067 CA MET A 215 3.670 -1.042 -6.297 1.00 0.00 C ATOM 1068 C MET A 215 4.568 -2.060 -7.001 1.00 0.00 C ATOM 1069 O MET A 215 4.138 -3.172 -7.301 1.00 0.00 O ATOM 1070 CB MET A 215 3.030 -0.121 -7.339 1.00 0.00 C ATOM 1071 CG MET A 215 2.063 0.865 -6.678 1.00 0.00 C ATOM 1072 SD MET A 215 0.499 0.854 -7.539 1.00 0.00 S ATOM 1073 CE MET A 215 0.765 2.198 -8.682 1.00 0.00 C ATOM 0 H MET A 215 4.541 0.733 -5.604 1.00 0.00 H new ATOM 0 HA MET A 215 2.896 -1.583 -5.752 1.00 0.00 H new ATOM 0 HB2 MET A 215 3.807 0.427 -7.871 1.00 0.00 H new ATOM 0 HB3 MET A 215 2.497 -0.718 -8.079 1.00 0.00 H new ATOM 0 HG2 MET A 215 1.914 0.596 -5.632 1.00 0.00 H new ATOM 0 HG3 MET A 215 2.488 1.869 -6.691 1.00 0.00 H new ATOM 0 HE1 MET A 215 -0.122 2.329 -9.302 1.00 0.00 H new ATOM 0 HE2 MET A 215 0.958 3.116 -8.126 1.00 0.00 H new ATOM 0 HE3 MET A 215 1.622 1.972 -9.317 1.00 0.00 H new ATOM 1083 N THR A 216 5.803 -1.644 -7.244 1.00 0.00 N ATOM 1084 CA THR A 216 6.767 -2.506 -7.908 1.00 0.00 C ATOM 1085 C THR A 216 7.111 -3.702 -7.019 1.00 0.00 C ATOM 1086 O THR A 216 7.293 -4.815 -7.512 1.00 0.00 O ATOM 1087 CB THR A 216 7.983 -1.655 -8.280 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.779 -1.342 -9.655 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.284 -2.461 -8.271 1.00 0.00 C ATOM 0 H THR A 216 6.158 -0.721 -6.993 1.00 0.00 H new ATOM 0 HA THR A 216 6.356 -2.929 -8.825 1.00 0.00 H new ATOM 0 HB THR A 216 8.068 -0.819 -7.586 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.521 -0.790 -9.978 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.116 -1.811 -8.542 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.452 -2.870 -7.275 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.212 -3.277 -8.990 1.00 0.00 H new ATOM 1097 N ALA A 217 7.190 -3.434 -5.724 1.00 0.00 N ATOM 1098 CA ALA A 217 7.511 -4.475 -4.762 1.00 0.00 C ATOM 1099 C ALA A 217 6.312 -5.415 -4.616 1.00 0.00 C ATOM 1100 O ALA A 217 6.480 -6.627 -4.493 1.00 0.00 O ATOM 1101 CB ALA A 217 7.914 -3.835 -3.432 1.00 0.00 C ATOM 0 H ALA A 217 7.037 -2.511 -5.318 1.00 0.00 H new ATOM 0 HA ALA A 217 8.357 -5.069 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.155 -4.616 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.787 -3.200 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.088 -3.233 -3.053 1.00 0.00 H new ATOM 1107 N CYS A 218 5.127 -4.819 -4.638 1.00 0.00 N ATOM 1108 CA CYS A 218 3.902 -5.589 -4.511 1.00 0.00 C ATOM 1109 C CYS A 218 3.792 -6.522 -5.718 1.00 0.00 C ATOM 1110 O CYS A 218 3.406 -7.681 -5.578 1.00 0.00 O ATOM 1111 CB CYS A 218 2.677 -4.681 -4.377 1.00 0.00 C ATOM 1112 SG CYS A 218 1.248 -5.645 -3.763 1.00 0.00 S ATOM 0 H CYS A 218 4.991 -3.813 -4.742 1.00 0.00 H new ATOM 0 HA CYS A 218 3.935 -6.183 -3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.895 -3.861 -3.692 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.437 -4.235 -5.342 1.00 0.00 H new ATOM 0 HG CYS A 218 0.490 -4.881 -3.034 1.00 0.00 H new ATOM 1118 N GLN A 219 4.139 -5.981 -6.877 1.00 0.00 N ATOM 1119 CA GLN A 219 4.084 -6.751 -8.107 1.00 0.00 C ATOM 1120 C GLN A 219 5.038 -7.945 -8.030 1.00 0.00 C ATOM 1121 O GLN A 219 4.805 -8.973 -8.666 1.00 0.00 O ATOM 1122 CB GLN A 219 4.403 -5.872 -9.318 1.00 0.00 C ATOM 1123 CG GLN A 219 3.302 -5.977 -10.377 1.00 0.00 C ATOM 1124 CD GLN A 219 3.408 -7.294 -11.149 1.00 0.00 C ATOM 1125 OE1 GLN A 219 4.447 -7.650 -11.681 1.00 0.00 O ATOM 1126 NE2 GLN A 219 2.279 -7.996 -11.178 1.00 0.00 N ATOM 0 H GLN A 219 4.459 -5.019 -6.990 1.00 0.00 H new ATOM 0 HA GLN A 219 3.069 -7.130 -8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.510 -4.835 -9.001 1.00 0.00 H new ATOM 0 HB3 GLN A 219 5.358 -6.173 -9.749 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.325 -5.909 -9.899 1.00 0.00 H new ATOM 0 HG3 GLN A 219 3.377 -5.138 -11.069 1.00 0.00 H new ATOM 0 HE21 GLN A 219 1.445 -7.640 -10.712 1.00 0.00 H new ATOM 0 HE22 GLN A 219 2.247 -8.891 -11.667 1.00 0.00 H new ATOM 1135 N GLY A 220 6.092 -7.769 -7.247 1.00 0.00 N ATOM 1136 CA GLY A 220 7.083 -8.819 -7.078 1.00 0.00 C ATOM 1137 C GLY A 220 6.549 -9.935 -6.177 1.00 0.00 C ATOM 1138 O GLY A 220 6.962 -11.087 -6.302 1.00 0.00 O ATOM 0 H GLY A 220 6.282 -6.915 -6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 220 7.353 -9.230 -8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.992 -8.401 -6.645 1.00 0.00 H new ATOM 1142 N VAL A 221 5.641 -9.555 -5.293 1.00 0.00 N ATOM 1143 CA VAL A 221 5.047 -10.510 -4.372 1.00 0.00 C ATOM 1144 C VAL A 221 4.596 -11.748 -5.149 1.00 0.00 C ATOM 1145 O VAL A 221 3.816 -11.643 -6.094 1.00 0.00 O ATOM 1146 CB VAL A 221 3.909 -9.847 -3.592 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.582 -9.976 -4.344 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.800 -10.430 -2.182 1.00 0.00 C ATOM 0 H VAL A 221 5.301 -8.599 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 221 5.781 -10.837 -3.635 1.00 0.00 H new ATOM 0 HB VAL A 221 4.139 -8.786 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.790 -9.497 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.667 -9.493 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 221 2.343 -11.030 -4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.984 -9.942 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.604 -11.500 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.735 -10.264 -1.646 1.00 0.00 H new