USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=12 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= -2.35 K(o=-4.7,f=-14!) USER MOD Set 1.2: A 198 CYS SG : rot 160:sc= -1.42 USER MOD Set 1.3: A 218 CYS SG : rot 165:sc= -0.937 USER MOD Single : A 149 SER OG : rot 170:sc= 0.016 USER MOD Single : A 164 TYR OH : rot -176:sc= 0.127 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 91:sc= -0.887 USER MOD Single : A 186 THR OG1 : rot 29:sc= 0.117 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.79) USER MOD Single : A 193 ASN : amide:sc= -5.42! C(o=-5.4!,f=-7.4!) USER MOD Single : A 195 ASN : amide:sc= -2.9! C(o=-2.9!,f=-3!) 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 USER MOD Single : A 214 MET CE :methyl -179:sc= -1.22 (180deg=-1.31) USER MOD Single : A 215 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 102:sc= 0.0483 USER MOD Single : A 219 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.314 4.946 7.225 1.00 0.00 N ATOM 16 CA SER A 149 -12.022 5.287 7.793 1.00 0.00 C ATOM 17 C SER A 149 -10.900 4.766 6.891 1.00 0.00 C ATOM 18 O SER A 149 -11.163 4.122 5.876 1.00 0.00 O ATOM 19 CB SER A 149 -11.873 4.719 9.206 1.00 0.00 C ATOM 20 OG SER A 149 -10.895 5.424 9.964 1.00 0.00 O ATOM 0 HA SER A 149 -11.954 6.373 7.858 1.00 0.00 H new ATOM 0 HB2 SER A 149 -12.833 4.767 9.719 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.596 3.666 9.146 1.00 0.00 H new ATOM 0 HG SER A 149 -10.942 5.142 10.901 1.00 0.00 H new ATOM 26 N ILE A 150 -9.674 5.066 7.293 1.00 0.00 N ATOM 27 CA ILE A 150 -8.512 4.635 6.536 1.00 0.00 C ATOM 28 C ILE A 150 -8.222 3.165 6.843 1.00 0.00 C ATOM 29 O ILE A 150 -7.530 2.491 6.081 1.00 0.00 O ATOM 30 CB ILE A 150 -7.326 5.564 6.799 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.759 7.032 6.765 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.181 5.282 5.825 1.00 0.00 C ATOM 33 CD1 ILE A 150 -7.944 7.515 5.325 1.00 0.00 C ATOM 0 H ILE A 150 -9.460 5.603 8.134 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.709 4.703 5.466 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.952 5.362 7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.692 7.153 7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.011 7.647 7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.351 5.957 6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.849 4.250 5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.526 5.438 4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.252 8.561 5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -7.003 7.415 4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.709 6.913 4.835 1.00 0.00 H new ATOM 45 N LEU A 151 -8.766 2.709 7.963 1.00 0.00 N ATOM 46 CA LEU A 151 -8.575 1.331 8.381 1.00 0.00 C ATOM 47 C LEU A 151 -9.194 0.396 7.342 1.00 0.00 C ATOM 48 O LEU A 151 -8.647 -0.666 7.053 1.00 0.00 O ATOM 49 CB LEU A 151 -9.115 1.123 9.797 1.00 0.00 C ATOM 50 CG LEU A 151 -10.636 1.008 9.926 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.067 -0.454 10.044 1.00 0.00 C ATOM 52 CD2 LEU A 151 -11.152 1.856 11.089 1.00 0.00 C ATOM 0 H LEU A 151 -9.339 3.270 8.593 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.513 1.091 8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.666 0.218 10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.780 1.954 10.418 1.00 0.00 H new ATOM 0 HG LEU A 151 -11.088 1.402 9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.152 -0.507 10.134 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.750 -1.000 9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.607 -0.899 10.926 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -12.235 1.757 11.159 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.696 1.515 12.018 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.894 2.901 10.920 1.00 0.00 H new ATOM 64 N ASP A 152 -10.329 0.825 6.808 1.00 0.00 N ATOM 65 CA ASP A 152 -11.031 0.040 5.808 1.00 0.00 C ATOM 66 C ASP A 152 -10.147 -0.101 4.566 1.00 0.00 C ATOM 67 O ASP A 152 -10.339 -1.013 3.764 1.00 0.00 O ATOM 68 CB ASP A 152 -12.333 0.721 5.385 1.00 0.00 C ATOM 69 CG ASP A 152 -13.375 -0.208 4.759 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.359 -0.459 3.545 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.242 -0.690 5.584 1.00 0.00 O ATOM 0 H ASP A 152 -10.780 1.707 7.050 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.259 -0.933 6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.774 1.201 6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.097 1.511 4.672 1.00 0.00 H new ATOM 77 N ILE A 153 -9.198 0.815 4.447 1.00 0.00 N ATOM 78 CA ILE A 153 -8.284 0.805 3.317 1.00 0.00 C ATOM 79 C ILE A 153 -7.149 -0.182 3.593 1.00 0.00 C ATOM 80 O ILE A 153 -6.142 0.179 4.199 1.00 0.00 O ATOM 81 CB ILE A 153 -7.803 2.223 3.004 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.955 3.093 2.499 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.629 2.200 2.024 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.104 3.124 3.509 1.00 0.00 C ATOM 0 H ILE A 153 -9.042 1.570 5.115 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.795 0.461 2.418 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.441 2.673 3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.597 4.107 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.315 2.708 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.307 3.221 1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.802 1.639 2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -6.940 1.724 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.910 3.750 3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.475 2.112 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.747 3.533 4.454 1.00 0.00 H new ATOM 96 N ARG A 154 -7.351 -1.410 3.137 1.00 0.00 N ATOM 97 CA ARG A 154 -6.358 -2.453 3.327 1.00 0.00 C ATOM 98 C ARG A 154 -6.049 -3.142 1.997 1.00 0.00 C ATOM 99 O ARG A 154 -6.739 -2.919 1.003 1.00 0.00 O ATOM 100 CB ARG A 154 -6.842 -3.498 4.334 1.00 0.00 C ATOM 101 CG ARG A 154 -5.704 -3.940 5.257 1.00 0.00 C ATOM 102 CD ARG A 154 -5.822 -5.425 5.602 1.00 0.00 C ATOM 103 NE ARG A 154 -5.751 -5.610 7.068 1.00 0.00 N ATOM 104 CZ ARG A 154 -4.600 -5.640 7.772 1.00 0.00 C ATOM 105 NH1 ARG A 154 -3.412 -5.495 7.149 1.00 0.00 N ATOM 106 NH2 ARG A 154 -4.653 -5.811 9.080 1.00 0.00 N ATOM 0 H ARG A 154 -8.189 -1.706 2.636 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.454 -1.982 3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.657 -3.085 4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.241 -4.362 3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -4.745 -3.750 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.723 -3.348 6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -6.764 -5.822 5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -5.022 -5.984 5.117 1.00 0.00 H new ATOM 0 HE ARG A 154 -6.627 -5.722 7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -3.379 -5.361 6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -2.547 -5.519 7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -5.555 -5.918 9.544 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -3.792 -5.836 9.626 1.00 0.00 H new ATOM 120 N GLN A 155 -5.011 -3.963 2.020 1.00 0.00 N ATOM 121 CA GLN A 155 -4.600 -4.686 0.827 1.00 0.00 C ATOM 122 C GLN A 155 -5.511 -5.895 0.601 1.00 0.00 C ATOM 123 O GLN A 155 -5.259 -6.975 1.135 1.00 0.00 O ATOM 124 CB GLN A 155 -3.135 -5.114 0.920 1.00 0.00 C ATOM 125 CG GLN A 155 -2.280 -4.366 -0.104 1.00 0.00 C ATOM 126 CD GLN A 155 -0.863 -4.138 0.425 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.254 -5.001 1.035 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.374 -2.930 0.159 1.00 0.00 N ATOM 0 H GLN A 155 -4.441 -4.145 2.846 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.694 -4.018 -0.029 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.759 -4.920 1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.055 -6.188 0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.238 -4.935 -1.033 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.743 -3.407 -0.338 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -0.937 -2.254 -0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.564 -2.680 0.471 1.00 0.00 H new ATOM 196 N PRO A 160 -6.053 -5.391 -6.350 1.00 0.00 N ATOM 197 CA PRO A 160 -4.666 -5.036 -6.600 1.00 0.00 C ATOM 198 C PRO A 160 -4.212 -3.911 -5.668 1.00 0.00 C ATOM 199 O PRO A 160 -5.026 -3.316 -4.965 1.00 0.00 O ATOM 200 CB PRO A 160 -4.620 -4.646 -8.069 1.00 0.00 C ATOM 201 CG PRO A 160 -6.056 -4.351 -8.468 1.00 0.00 C ATOM 202 CD PRO A 160 -6.964 -4.893 -7.375 1.00 0.00 C ATOM 0 HA PRO A 160 -3.978 -5.856 -6.397 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -3.985 -3.773 -8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.204 -5.452 -8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.205 -3.278 -8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.290 -4.818 -9.425 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.617 -4.114 -6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.608 -5.687 -7.753 1.00 0.00 H new ATOM 210 N PHE A 161 -2.912 -3.653 -5.694 1.00 0.00 N ATOM 211 CA PHE A 161 -2.339 -2.610 -4.859 1.00 0.00 C ATOM 212 C PHE A 161 -2.757 -1.223 -5.352 1.00 0.00 C ATOM 213 O PHE A 161 -2.819 -0.276 -4.571 1.00 0.00 O ATOM 214 CB PHE A 161 -0.819 -2.740 -4.963 1.00 0.00 C ATOM 215 CG PHE A 161 -0.049 -1.758 -4.078 1.00 0.00 C ATOM 216 CD1 PHE A 161 -0.175 -1.820 -2.724 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.761 -0.823 -4.643 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.539 -0.909 -1.903 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.475 0.089 -3.820 1.00 0.00 C ATOM 220 CZ PHE A 161 1.350 0.026 -2.468 1.00 0.00 C ATOM 0 H PHE A 161 -2.240 -4.148 -6.280 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.687 -2.721 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.532 -3.757 -4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.522 -2.588 -6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.818 -2.562 -2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.862 -0.774 -5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.439 -0.958 -0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.117 0.832 -4.269 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.894 0.718 -1.842 1.00 0.00 H new ATOM 230 N ARG A 162 -3.031 -1.149 -6.646 1.00 0.00 N ATOM 231 CA ARG A 162 -3.441 0.107 -7.254 1.00 0.00 C ATOM 232 C ARG A 162 -4.809 0.533 -6.719 1.00 0.00 C ATOM 233 O ARG A 162 -5.003 1.691 -6.350 1.00 0.00 O ATOM 234 CB ARG A 162 -3.511 -0.015 -8.776 1.00 0.00 C ATOM 235 CG ARG A 162 -2.977 1.250 -9.452 1.00 0.00 C ATOM 236 CD ARG A 162 -3.238 1.218 -10.960 1.00 0.00 C ATOM 237 NE ARG A 162 -2.172 1.956 -11.673 1.00 0.00 N ATOM 238 CZ ARG A 162 -2.201 3.283 -11.915 1.00 0.00 C ATOM 239 NH1 ARG A 162 -3.245 4.032 -11.501 1.00 0.00 N ATOM 240 NH2 ARG A 162 -1.193 3.838 -12.562 1.00 0.00 N ATOM 0 H ARG A 162 -2.977 -1.938 -7.291 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.696 0.860 -6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.931 -0.879 -9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.542 -0.189 -9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.453 2.128 -9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.907 1.342 -9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.274 0.186 -11.310 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.209 1.663 -11.179 1.00 0.00 H new ATOM 0 HE ARG A 162 -1.364 1.428 -12.002 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.020 3.595 -11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.259 5.035 -11.688 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -0.408 3.265 -12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -1.199 4.840 -12.753 1.00 0.00 H new ATOM 254 N ASP A 163 -5.724 -0.426 -6.694 1.00 0.00 N ATOM 255 CA ASP A 163 -7.070 -0.164 -6.211 1.00 0.00 C ATOM 256 C ASP A 163 -7.016 0.171 -4.719 1.00 0.00 C ATOM 257 O ASP A 163 -7.722 1.064 -4.254 1.00 0.00 O ATOM 258 CB ASP A 163 -7.967 -1.391 -6.388 1.00 0.00 C ATOM 259 CG ASP A 163 -8.187 -1.827 -7.838 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.421 -1.456 -8.739 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.208 -2.591 -8.027 1.00 0.00 O ATOM 0 H ASP A 163 -5.560 -1.385 -7.000 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.478 0.667 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.531 -2.224 -5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.937 -1.182 -5.936 1.00 0.00 H new ATOM 267 N TYR A 164 -6.171 -0.563 -4.011 1.00 0.00 N ATOM 268 CA TYR A 164 -6.014 -0.356 -2.581 1.00 0.00 C ATOM 269 C TYR A 164 -5.477 1.046 -2.287 1.00 0.00 C ATOM 270 O TYR A 164 -5.952 1.716 -1.371 1.00 0.00 O ATOM 271 CB TYR A 164 -4.989 -1.390 -2.114 1.00 0.00 C ATOM 272 CG TYR A 164 -4.262 -1.008 -0.823 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.981 -0.791 0.335 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.889 -0.878 -0.817 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.297 -0.430 1.551 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.205 -0.517 0.398 1.00 0.00 C ATOM 277 CZ TYR A 164 -2.943 -0.312 1.521 1.00 0.00 C ATOM 278 OH TYR A 164 -2.297 0.029 2.669 1.00 0.00 O ATOM 0 H TYR A 164 -5.587 -1.303 -4.401 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.972 -0.459 -2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -5.493 -2.345 -1.966 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -4.252 -1.538 -2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -6.056 -0.892 0.330 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -2.327 -1.047 -1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -4.847 -0.257 2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.130 -0.412 0.416 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.341 0.145 2.485 1.00 0.00 H new ATOM 288 N VAL A 165 -4.495 1.448 -3.080 1.00 0.00 N ATOM 289 CA VAL A 165 -3.888 2.759 -2.915 1.00 0.00 C ATOM 290 C VAL A 165 -4.936 3.838 -3.190 1.00 0.00 C ATOM 291 O VAL A 165 -5.007 4.836 -2.474 1.00 0.00 O ATOM 292 CB VAL A 165 -2.654 2.880 -3.812 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.326 4.346 -4.096 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.455 2.158 -3.194 1.00 0.00 C ATOM 0 H VAL A 165 -4.104 0.889 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.543 2.895 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.881 2.398 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.445 4.405 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.171 4.817 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.128 4.863 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.591 2.259 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.226 2.598 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.692 1.102 -3.067 1.00 0.00 H new ATOM 304 N ASP A 166 -5.724 3.603 -4.228 1.00 0.00 N ATOM 305 CA ASP A 166 -6.765 4.544 -4.608 1.00 0.00 C ATOM 306 C ASP A 166 -7.708 4.758 -3.423 1.00 0.00 C ATOM 307 O ASP A 166 -8.106 5.886 -3.135 1.00 0.00 O ATOM 308 CB ASP A 166 -7.591 4.010 -5.780 1.00 0.00 C ATOM 309 CG ASP A 166 -7.091 4.424 -7.165 1.00 0.00 C ATOM 310 OD1 ASP A 166 -6.230 3.759 -7.759 1.00 0.00 O ATOM 311 OD2 ASP A 166 -7.630 5.496 -7.642 1.00 0.00 O ATOM 0 H ASP A 166 -5.663 2.774 -4.819 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.285 5.477 -4.902 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -7.608 2.921 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.620 4.351 -5.665 1.00 0.00 H new ATOM 317 N ARG A 167 -8.040 3.656 -2.765 1.00 0.00 N ATOM 318 CA ARG A 167 -8.929 3.709 -1.618 1.00 0.00 C ATOM 319 C ARG A 167 -8.285 4.506 -0.483 1.00 0.00 C ATOM 320 O ARG A 167 -8.946 5.317 0.165 1.00 0.00 O ATOM 321 CB ARG A 167 -9.266 2.302 -1.118 1.00 0.00 C ATOM 322 CG ARG A 167 -10.741 2.199 -0.723 1.00 0.00 C ATOM 323 CD ARG A 167 -11.554 1.511 -1.820 1.00 0.00 C ATOM 324 NE ARG A 167 -11.356 0.046 -1.753 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.081 -0.849 -2.459 1.00 0.00 C ATOM 326 NH1 ARG A 167 -13.059 -0.433 -3.292 1.00 0.00 N ATOM 327 NH2 ARG A 167 -11.818 -2.136 -2.323 1.00 0.00 N ATOM 0 H ARG A 167 -7.709 2.722 -3.005 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.849 4.201 -1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -9.042 1.572 -1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.638 2.057 -0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.834 1.640 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.142 3.195 -0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -12.611 1.749 -1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.249 1.883 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 167 -10.627 -0.310 -1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -13.255 0.563 -3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -13.602 -1.115 -3.822 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -11.077 -2.441 -1.692 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -12.356 -2.825 -2.849 1.00 0.00 H new ATOM 341 N PHE A 168 -7.002 4.248 -0.275 1.00 0.00 N ATOM 342 CA PHE A 168 -6.260 4.931 0.771 1.00 0.00 C ATOM 343 C PHE A 168 -6.297 6.447 0.567 1.00 0.00 C ATOM 344 O PHE A 168 -6.564 7.197 1.506 1.00 0.00 O ATOM 345 CB PHE A 168 -4.810 4.452 0.678 1.00 0.00 C ATOM 346 CG PHE A 168 -3.894 5.025 1.762 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.295 6.232 1.575 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.679 4.330 2.910 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.443 6.765 2.579 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.830 4.863 3.914 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.230 6.069 3.728 1.00 0.00 C ATOM 0 H PHE A 168 -6.457 3.575 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.699 4.710 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.793 3.364 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.411 4.722 -0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.467 6.785 0.663 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.155 3.372 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -1.965 7.722 2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.660 4.311 4.826 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.584 6.474 4.493 1.00 0.00 H new ATOM 361 N TYR A 169 -6.024 6.854 -0.663 1.00 0.00 N ATOM 362 CA TYR A 169 -6.022 8.267 -1.000 1.00 0.00 C ATOM 363 C TYR A 169 -7.449 8.813 -1.087 1.00 0.00 C ATOM 364 O TYR A 169 -7.665 10.016 -0.967 1.00 0.00 O ATOM 365 CB TYR A 169 -5.365 8.370 -2.379 1.00 0.00 C ATOM 366 CG TYR A 169 -3.840 8.249 -2.353 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.243 7.177 -1.721 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.060 9.212 -2.960 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.807 7.063 -1.696 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.626 9.098 -2.936 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.071 8.030 -2.305 1.00 0.00 C ATOM 372 OH TYR A 169 0.286 7.921 -2.281 1.00 0.00 O ATOM 0 H TYR A 169 -5.803 6.230 -1.439 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.493 8.842 -0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.770 7.589 -3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.636 9.325 -2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.853 6.423 -1.245 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.526 10.052 -3.453 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.327 6.229 -1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.005 9.844 -3.409 1.00 0.00 H new ATOM 0 HH TYR A 169 0.684 8.681 -2.755 1.00 0.00 H new ATOM 382 N LYS A 170 -8.386 7.898 -1.294 1.00 0.00 N ATOM 383 CA LYS A 170 -9.785 8.273 -1.399 1.00 0.00 C ATOM 384 C LYS A 170 -10.313 8.651 -0.012 1.00 0.00 C ATOM 385 O LYS A 170 -11.007 9.655 0.139 1.00 0.00 O ATOM 386 CB LYS A 170 -10.588 7.162 -2.078 1.00 0.00 C ATOM 387 CG LYS A 170 -10.768 7.450 -3.570 1.00 0.00 C ATOM 388 CD LYS A 170 -11.027 6.161 -4.351 1.00 0.00 C ATOM 389 CE LYS A 170 -12.293 6.278 -5.201 1.00 0.00 C ATOM 390 NZ LYS A 170 -13.035 4.997 -5.207 1.00 0.00 N ATOM 0 H LYS A 170 -8.203 6.899 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.897 9.151 -2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.078 6.208 -1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.564 7.070 -1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.600 8.139 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.876 7.942 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.173 5.943 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -11.126 5.326 -3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.929 7.071 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -12.029 6.556 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -13.891 5.095 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -12.431 4.248 -5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -13.304 4.747 -4.234 1.00 0.00 H new ATOM 404 N THR A 171 -9.961 7.826 0.964 1.00 0.00 N ATOM 405 CA THR A 171 -10.389 8.061 2.333 1.00 0.00 C ATOM 406 C THR A 171 -9.594 9.213 2.950 1.00 0.00 C ATOM 407 O THR A 171 -10.131 9.994 3.734 1.00 0.00 O ATOM 408 CB THR A 171 -10.253 6.747 3.104 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.222 5.891 2.505 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.712 6.870 4.557 1.00 0.00 C ATOM 0 H THR A 171 -9.385 6.995 0.834 1.00 0.00 H new ATOM 0 HA THR A 171 -11.433 8.371 2.373 1.00 0.00 H new ATOM 0 HB THR A 171 -9.214 6.418 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.807 5.390 1.772 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.594 5.909 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.109 7.622 5.067 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.760 7.167 4.583 1.00 0.00 H new ATOM 418 N LEU A 172 -8.325 9.283 2.573 1.00 0.00 N ATOM 419 CA LEU A 172 -7.450 10.326 3.080 1.00 0.00 C ATOM 420 C LEU A 172 -8.055 11.694 2.756 1.00 0.00 C ATOM 421 O LEU A 172 -8.090 12.578 3.611 1.00 0.00 O ATOM 422 CB LEU A 172 -6.029 10.139 2.545 1.00 0.00 C ATOM 423 CG LEU A 172 -5.609 11.081 1.414 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.546 12.530 1.903 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.288 10.630 0.788 1.00 0.00 C ATOM 0 H LEU A 172 -7.882 8.634 1.922 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.368 10.262 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.331 10.263 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -5.927 9.112 2.193 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.368 11.037 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.245 13.179 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.528 12.835 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.820 12.610 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.012 11.316 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.507 10.627 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.402 9.625 0.382 1.00 0.00 H new ATOM 437 N ARG A 173 -8.515 11.825 1.521 1.00 0.00 N ATOM 438 CA ARG A 173 -9.116 13.071 1.075 1.00 0.00 C ATOM 439 C ARG A 173 -10.377 13.372 1.885 1.00 0.00 C ATOM 440 O ARG A 173 -10.892 14.488 1.849 1.00 0.00 O ATOM 441 CB ARG A 173 -9.476 13.007 -0.411 1.00 0.00 C ATOM 442 CG ARG A 173 -8.227 13.141 -1.285 1.00 0.00 C ATOM 443 CD ARG A 173 -8.593 13.591 -2.699 1.00 0.00 C ATOM 444 NE ARG A 173 -8.133 12.587 -3.685 1.00 0.00 N ATOM 445 CZ ARG A 173 -8.113 12.791 -5.020 1.00 0.00 C ATOM 446 NH1 ARG A 173 -8.527 13.965 -5.540 1.00 0.00 N ATOM 447 NH2 ARG A 173 -7.682 11.824 -5.808 1.00 0.00 N ATOM 0 H ARG A 173 -8.484 11.089 0.815 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.385 13.865 1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.976 12.063 -0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.180 13.803 -0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -7.541 13.860 -0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.704 12.185 -1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -9.672 13.724 -2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -8.136 14.557 -2.912 1.00 0.00 H new ATOM 0 HE ARG A 173 -7.811 11.685 -3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -8.858 14.707 -4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -8.508 14.110 -6.549 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -7.371 10.940 -5.407 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -7.660 11.961 -6.819 1.00 0.00 H new ATOM 461 N ALA A 174 -10.840 12.356 2.600 1.00 0.00 N ATOM 462 CA ALA A 174 -12.031 12.498 3.420 1.00 0.00 C ATOM 463 C ALA A 174 -11.750 11.953 4.821 1.00 0.00 C ATOM 464 O ALA A 174 -12.659 11.475 5.500 1.00 0.00 O ATOM 465 CB ALA A 174 -13.205 11.788 2.742 1.00 0.00 C ATOM 0 H ALA A 174 -10.411 11.431 2.628 1.00 0.00 H new ATOM 0 HA ALA A 174 -12.301 13.549 3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.099 11.894 3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.383 12.233 1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.971 10.730 2.622 1.00 0.00 H new ATOM 630 N THR A 186 1.769 9.365 6.303 1.00 0.00 N ATOM 631 CA THR A 186 0.835 8.796 5.348 1.00 0.00 C ATOM 632 C THR A 186 1.380 7.481 4.787 1.00 0.00 C ATOM 633 O THR A 186 0.736 6.440 4.900 1.00 0.00 O ATOM 634 CB THR A 186 0.560 9.848 4.272 1.00 0.00 C ATOM 635 OG1 THR A 186 -0.160 10.868 4.960 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.420 9.354 3.206 1.00 0.00 C ATOM 0 HA THR A 186 -0.112 8.542 5.824 1.00 0.00 H new ATOM 0 HB THR A 186 1.498 10.135 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 186 0.107 10.877 5.903 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.580 10.139 2.467 1.00 0.00 H new ATOM 0 HG22 THR A 186 -0.009 8.472 2.715 1.00 0.00 H new ATOM 0 HG23 THR A 186 -1.370 9.099 3.675 1.00 0.00 H new ATOM 644 N GLU A 187 2.561 7.572 4.194 1.00 0.00 N ATOM 645 CA GLU A 187 3.200 6.403 3.613 1.00 0.00 C ATOM 646 C GLU A 187 3.248 5.265 4.634 1.00 0.00 C ATOM 647 O GLU A 187 3.030 4.104 4.287 1.00 0.00 O ATOM 648 CB GLU A 187 4.602 6.742 3.103 1.00 0.00 C ATOM 649 CG GLU A 187 5.198 5.569 2.322 1.00 0.00 C ATOM 650 CD GLU A 187 4.777 5.618 0.851 1.00 0.00 C ATOM 651 OE1 GLU A 187 5.639 5.686 -0.038 1.00 0.00 O ATOM 652 OE2 GLU A 187 3.504 5.583 0.647 1.00 0.00 O ATOM 0 H GLU A 187 3.093 8.438 4.103 1.00 0.00 H new ATOM 0 HA GLU A 187 2.608 6.075 2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.557 7.624 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 187 5.249 6.990 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 187 6.285 5.595 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 187 4.872 4.629 2.766 1.00 0.00 H new ATOM 660 N THR A 188 3.534 5.635 5.873 1.00 0.00 N ATOM 661 CA THR A 188 3.614 4.659 6.946 1.00 0.00 C ATOM 662 C THR A 188 2.245 4.024 7.193 1.00 0.00 C ATOM 663 O THR A 188 2.157 2.870 7.609 1.00 0.00 O ATOM 664 CB THR A 188 4.189 5.358 8.180 1.00 0.00 C ATOM 665 OG1 THR A 188 5.016 4.369 8.786 1.00 0.00 O ATOM 666 CG2 THR A 188 3.124 5.652 9.238 1.00 0.00 C ATOM 0 H THR A 188 3.713 6.598 6.158 1.00 0.00 H new ATOM 0 HA THR A 188 4.277 3.836 6.681 1.00 0.00 H new ATOM 0 HB THR A 188 4.667 6.290 7.878 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.430 4.739 9.593 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.586 6.148 10.091 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.358 6.300 8.813 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.668 4.717 9.565 1.00 0.00 H new ATOM 674 N LEU A 189 1.209 4.805 6.922 1.00 0.00 N ATOM 675 CA LEU A 189 -0.153 4.332 7.109 1.00 0.00 C ATOM 676 C LEU A 189 -0.473 3.277 6.049 1.00 0.00 C ATOM 677 O LEU A 189 -1.001 2.214 6.368 1.00 0.00 O ATOM 678 CB LEU A 189 -1.131 5.509 7.118 1.00 0.00 C ATOM 679 CG LEU A 189 -1.649 5.940 8.493 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.460 7.234 8.392 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.446 4.814 9.155 1.00 0.00 C ATOM 0 H LEU A 189 1.285 5.761 6.575 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.258 3.850 8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.643 6.365 6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -1.986 5.250 6.494 1.00 0.00 H new ATOM 0 HG LEU A 189 -0.791 6.147 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -2.816 7.518 9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -1.830 8.028 7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.312 7.079 7.731 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.803 5.145 10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.297 4.553 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -1.806 3.940 9.280 1.00 0.00 H new ATOM 693 N LEU A 190 -0.136 3.608 4.810 1.00 0.00 N ATOM 694 CA LEU A 190 -0.380 2.700 3.702 1.00 0.00 C ATOM 695 C LEU A 190 0.350 1.381 3.958 1.00 0.00 C ATOM 696 O LEU A 190 -0.208 0.305 3.739 1.00 0.00 O ATOM 697 CB LEU A 190 -0.006 3.364 2.376 1.00 0.00 C ATOM 698 CG LEU A 190 -0.117 2.482 1.129 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.387 2.809 0.339 1.00 0.00 C ATOM 700 CD2 LEU A 190 1.140 2.590 0.266 1.00 0.00 C ATOM 0 H LEU A 190 0.303 4.491 4.550 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.442 2.466 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -0.644 4.237 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 190 1.019 3.726 2.450 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.196 1.443 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.442 2.169 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.261 2.638 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.363 3.853 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 190 1.034 1.954 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.277 3.624 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 190 2.007 2.269 0.844 1.00 0.00 H new ATOM 712 N VAL A 191 1.586 1.504 4.418 1.00 0.00 N ATOM 713 CA VAL A 191 2.399 0.335 4.706 1.00 0.00 C ATOM 714 C VAL A 191 1.802 -0.413 5.899 1.00 0.00 C ATOM 715 O VAL A 191 1.654 -1.634 5.860 1.00 0.00 O ATOM 716 CB VAL A 191 3.854 0.750 4.928 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.680 -0.415 5.476 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.470 1.302 3.641 1.00 0.00 C ATOM 0 H VAL A 191 2.045 2.397 4.599 1.00 0.00 H new ATOM 0 HA VAL A 191 2.397 -0.350 3.858 1.00 0.00 H new ATOM 0 HB VAL A 191 3.864 1.546 5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.710 -0.092 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.261 -0.742 6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.658 -1.242 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.505 1.589 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.440 0.536 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.905 2.174 3.312 1.00 0.00 H new ATOM 728 N GLN A 192 1.476 0.349 6.933 1.00 0.00 N ATOM 729 CA GLN A 192 0.898 -0.227 8.135 1.00 0.00 C ATOM 730 C GLN A 192 -0.463 -0.851 7.824 1.00 0.00 C ATOM 731 O GLN A 192 -0.793 -1.921 8.333 1.00 0.00 O ATOM 732 CB GLN A 192 0.782 0.820 9.243 1.00 0.00 C ATOM 733 CG GLN A 192 2.024 0.814 10.138 1.00 0.00 C ATOM 734 CD GLN A 192 2.109 -0.482 10.948 1.00 0.00 C ATOM 735 OE1 GLN A 192 2.759 -1.442 10.566 1.00 0.00 O ATOM 736 NE2 GLN A 192 1.419 -0.455 12.084 1.00 0.00 N ATOM 0 H GLN A 192 1.601 1.361 6.963 1.00 0.00 H new ATOM 0 HA GLN A 192 1.562 -1.014 8.493 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.652 1.808 8.802 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -0.105 0.621 9.845 1.00 0.00 H new ATOM 0 HG2 GLN A 192 2.919 0.924 9.525 1.00 0.00 H new ATOM 0 HG3 GLN A 192 1.994 1.668 10.814 1.00 0.00 H new ATOM 0 HE21 GLN A 192 0.896 0.382 12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 192 1.412 -1.271 12.696 1.00 0.00 H new ATOM 745 N ASN A 193 -1.222 -0.153 6.990 1.00 0.00 N ATOM 746 CA ASN A 193 -2.541 -0.624 6.605 1.00 0.00 C ATOM 747 C ASN A 193 -2.408 -1.599 5.434 1.00 0.00 C ATOM 748 O ASN A 193 -3.408 -2.010 4.847 1.00 0.00 O ATOM 749 CB ASN A 193 -3.430 0.537 6.156 1.00 0.00 C ATOM 750 CG ASN A 193 -4.892 0.284 6.529 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.646 1.191 6.843 1.00 0.00 O ATOM 752 ND2 ASN A 193 -5.251 -0.996 6.475 1.00 0.00 N ATOM 0 H ASN A 193 -0.947 0.735 6.571 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.992 -1.110 7.470 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.088 1.462 6.619 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.344 0.670 5.078 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -6.207 -1.268 6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -4.570 -1.706 6.204 1.00 0.00 H new ATOM 759 N ALA A 194 -1.165 -1.940 5.127 1.00 0.00 N ATOM 760 CA ALA A 194 -0.888 -2.859 4.037 1.00 0.00 C ATOM 761 C ALA A 194 -0.603 -4.250 4.607 1.00 0.00 C ATOM 762 O ALA A 194 -0.263 -4.386 5.781 1.00 0.00 O ATOM 763 CB ALA A 194 0.275 -2.324 3.199 1.00 0.00 C ATOM 0 H ALA A 194 -0.338 -1.596 5.615 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.753 -2.943 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.482 -3.014 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.011 -1.348 2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.161 -2.228 3.826 1.00 0.00 H new ATOM 769 N ASN A 195 -0.753 -5.249 3.748 1.00 0.00 N ATOM 770 CA ASN A 195 -0.517 -6.624 4.152 1.00 0.00 C ATOM 771 C ASN A 195 0.797 -6.704 4.933 1.00 0.00 C ATOM 772 O ASN A 195 1.548 -5.731 4.991 1.00 0.00 O ATOM 773 CB ASN A 195 -0.402 -7.543 2.935 1.00 0.00 C ATOM 774 CG ASN A 195 -1.497 -8.611 2.948 1.00 0.00 C ATOM 775 OD1 ASN A 195 -1.258 -9.785 2.719 1.00 0.00 O ATOM 776 ND2 ASN A 195 -2.709 -8.140 3.228 1.00 0.00 N ATOM 0 H ASN A 195 -1.035 -5.133 2.775 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.358 -6.944 4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.475 -6.953 2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.577 -8.021 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -3.507 -8.774 3.261 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -2.840 -7.145 3.410 1.00 0.00 H new ATOM 783 N PRO A 196 1.042 -7.903 5.524 1.00 0.00 N ATOM 784 CA PRO A 196 2.253 -8.123 6.297 1.00 0.00 C ATOM 785 C PRO A 196 3.466 -8.287 5.379 1.00 0.00 C ATOM 786 O PRO A 196 4.470 -7.595 5.540 1.00 0.00 O ATOM 787 CB PRO A 196 1.968 -9.359 7.133 1.00 0.00 C ATOM 788 CG PRO A 196 0.794 -10.053 6.463 1.00 0.00 C ATOM 789 CD PRO A 196 0.177 -9.078 5.474 1.00 0.00 C ATOM 0 HA PRO A 196 2.504 -7.277 6.937 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.839 -10.014 7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.727 -9.088 8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.126 -10.956 5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.058 -10.360 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.142 -9.501 4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.847 -8.828 5.751 1.00 0.00 H new ATOM 797 N ASP A 197 3.334 -9.211 4.439 1.00 0.00 N ATOM 798 CA ASP A 197 4.408 -9.477 3.496 1.00 0.00 C ATOM 799 C ASP A 197 4.841 -8.165 2.839 1.00 0.00 C ATOM 800 O ASP A 197 6.030 -7.855 2.787 1.00 0.00 O ATOM 801 CB ASP A 197 3.946 -10.429 2.389 1.00 0.00 C ATOM 802 CG ASP A 197 4.255 -11.906 2.638 1.00 0.00 C ATOM 803 OD1 ASP A 197 5.272 -12.251 3.257 1.00 0.00 O ATOM 804 OD2 ASP A 197 3.388 -12.733 2.159 1.00 0.00 O ATOM 0 H ASP A 197 2.501 -9.785 4.310 1.00 0.00 H new ATOM 0 HA ASP A 197 5.232 -9.933 4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.870 -10.315 2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.415 -10.128 1.452 1.00 0.00 H new ATOM 810 N CYS A 198 3.852 -7.428 2.354 1.00 0.00 N ATOM 811 CA CYS A 198 4.117 -6.157 1.703 1.00 0.00 C ATOM 812 C CYS A 198 4.944 -5.291 2.656 1.00 0.00 C ATOM 813 O CYS A 198 5.830 -4.556 2.223 1.00 0.00 O ATOM 814 CB CYS A 198 2.823 -5.459 1.278 1.00 0.00 C ATOM 815 SG CYS A 198 3.206 -4.032 0.198 1.00 0.00 S ATOM 0 H CYS A 198 2.866 -7.687 2.399 1.00 0.00 H new ATOM 0 HA CYS A 198 4.681 -6.327 0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.178 -6.162 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.276 -5.122 2.159 1.00 0.00 H new ATOM 0 HG CYS A 198 2.150 -3.712 -0.489 1.00 0.00 H new ATOM 821 N LYS A 199 4.625 -5.407 3.937 1.00 0.00 N ATOM 822 CA LYS A 199 5.329 -4.647 4.955 1.00 0.00 C ATOM 823 C LYS A 199 6.822 -4.974 4.892 1.00 0.00 C ATOM 824 O LYS A 199 7.662 -4.079 4.966 1.00 0.00 O ATOM 825 CB LYS A 199 4.703 -4.885 6.332 1.00 0.00 C ATOM 826 CG LYS A 199 5.093 -3.778 7.311 1.00 0.00 C ATOM 827 CD LYS A 199 5.676 -4.363 8.598 1.00 0.00 C ATOM 828 CE LYS A 199 5.183 -3.592 9.825 1.00 0.00 C ATOM 829 NZ LYS A 199 5.695 -4.213 11.067 1.00 0.00 N ATOM 0 H LYS A 199 3.888 -6.016 4.293 1.00 0.00 H new ATOM 0 HA LYS A 199 5.230 -3.578 4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.618 -4.927 6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.028 -5.850 6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 199 5.823 -3.116 6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 199 4.218 -3.172 7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 199 5.393 -5.412 8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 199 6.765 -4.329 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 199 5.513 -2.555 9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 199 4.093 -3.579 9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 5.351 -3.678 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 5.359 -5.195 11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 6.735 -4.203 11.057 1.00 0.00 H new ATOM 843 N THR A 200 7.106 -6.262 4.756 1.00 0.00 N ATOM 844 CA THR A 200 8.483 -6.720 4.683 1.00 0.00 C ATOM 845 C THR A 200 9.151 -6.198 3.409 1.00 0.00 C ATOM 846 O THR A 200 10.306 -5.775 3.437 1.00 0.00 O ATOM 847 CB THR A 200 8.480 -8.246 4.785 1.00 0.00 C ATOM 848 OG1 THR A 200 7.903 -8.507 6.061 1.00 0.00 O ATOM 849 CG2 THR A 200 9.891 -8.829 4.888 1.00 0.00 C ATOM 0 H THR A 200 6.406 -7.002 4.695 1.00 0.00 H new ATOM 0 HA THR A 200 9.075 -6.326 5.509 1.00 0.00 H new ATOM 0 HB THR A 200 7.976 -8.667 3.915 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.861 -9.475 6.209 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.832 -9.915 4.958 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.464 -8.553 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.384 -8.435 5.777 1.00 0.00 H new ATOM 857 N ILE A 201 8.395 -6.243 2.321 1.00 0.00 N ATOM 858 CA ILE A 201 8.899 -5.781 1.039 1.00 0.00 C ATOM 859 C ILE A 201 9.188 -4.281 1.121 1.00 0.00 C ATOM 860 O ILE A 201 10.176 -3.803 0.565 1.00 0.00 O ATOM 861 CB ILE A 201 7.935 -6.161 -0.085 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.293 -7.524 0.181 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.632 -6.112 -1.446 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.057 -8.284 -1.126 1.00 0.00 C ATOM 0 H ILE A 201 7.437 -6.593 2.301 1.00 0.00 H new ATOM 0 HA ILE A 201 9.840 -6.275 0.799 1.00 0.00 H new ATOM 0 HB ILE A 201 7.131 -5.425 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.936 -8.111 0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.346 -7.388 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.924 -6.387 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 201 9.002 -5.103 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.468 -6.811 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.600 -9.249 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.394 -7.705 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.009 -8.440 -1.633 1.00 0.00 H new ATOM 876 N LEU A 202 8.307 -3.578 1.818 1.00 0.00 N ATOM 877 CA LEU A 202 8.454 -2.142 1.981 1.00 0.00 C ATOM 878 C LEU A 202 9.657 -1.856 2.881 1.00 0.00 C ATOM 879 O LEU A 202 10.348 -0.854 2.699 1.00 0.00 O ATOM 880 CB LEU A 202 7.148 -1.523 2.481 1.00 0.00 C ATOM 881 CG LEU A 202 5.928 -1.707 1.579 1.00 0.00 C ATOM 882 CD1 LEU A 202 4.657 -1.911 2.406 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.791 -0.541 0.598 1.00 0.00 C ATOM 0 H LEU A 202 7.488 -3.977 2.277 1.00 0.00 H new ATOM 0 HA LEU A 202 8.656 -1.668 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.919 -1.948 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.309 -0.455 2.627 1.00 0.00 H new ATOM 0 HG LEU A 202 6.075 -2.611 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.805 -2.039 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.767 -2.799 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 202 4.492 -1.040 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 202 4.915 -0.697 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 202 5.678 0.390 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 202 6.682 -0.485 -0.027 1.00 0.00 H new ATOM 895 N LYS A 203 9.870 -2.752 3.834 1.00 0.00 N ATOM 896 CA LYS A 203 10.977 -2.606 4.763 1.00 0.00 C ATOM 897 C LYS A 203 12.296 -2.803 4.013 1.00 0.00 C ATOM 898 O LYS A 203 13.294 -2.157 4.326 1.00 0.00 O ATOM 899 CB LYS A 203 10.802 -3.550 5.956 1.00 0.00 C ATOM 900 CG LYS A 203 10.175 -2.819 7.146 1.00 0.00 C ATOM 901 CD LYS A 203 9.698 -3.810 8.209 1.00 0.00 C ATOM 902 CE LYS A 203 9.559 -3.128 9.571 1.00 0.00 C ATOM 903 NZ LYS A 203 9.808 -4.095 10.663 1.00 0.00 N ATOM 0 H LYS A 203 9.295 -3.581 3.982 1.00 0.00 H new ATOM 0 HA LYS A 203 10.994 -1.599 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.172 -4.392 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.770 -3.960 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.903 -2.135 7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.335 -2.214 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 203 8.739 -4.235 7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.404 -4.637 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 203 10.264 -2.300 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 203 8.559 -2.706 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 9.710 -3.615 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 9.119 -4.872 10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 10.771 -4.478 10.574 1.00 0.00 H new ATOM 917 N ALA A 204 12.257 -3.698 3.037 1.00 0.00 N ATOM 918 CA ALA A 204 13.437 -3.987 2.239 1.00 0.00 C ATOM 919 C ALA A 204 13.619 -2.889 1.190 1.00 0.00 C ATOM 920 O ALA A 204 14.741 -2.606 0.772 1.00 0.00 O ATOM 921 CB ALA A 204 13.302 -5.376 1.612 1.00 0.00 C ATOM 0 H ALA A 204 11.427 -4.233 2.780 1.00 0.00 H new ATOM 0 HA ALA A 204 14.330 -3.997 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.187 -5.593 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.205 -6.123 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.418 -5.403 0.975 1.00 0.00 H new ATOM 927 N LEU A 205 12.500 -2.301 0.794 1.00 0.00 N ATOM 928 CA LEU A 205 12.522 -1.239 -0.199 1.00 0.00 C ATOM 929 C LEU A 205 13.398 -0.091 0.308 1.00 0.00 C ATOM 930 O LEU A 205 14.592 -0.041 0.016 1.00 0.00 O ATOM 931 CB LEU A 205 11.098 -0.814 -0.560 1.00 0.00 C ATOM 932 CG LEU A 205 10.646 -1.130 -1.988 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.197 -2.587 -2.111 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.559 -0.155 -2.447 1.00 0.00 C ATOM 0 H LEU A 205 11.572 -2.539 1.143 1.00 0.00 H new ATOM 0 HA LEU A 205 12.968 -1.594 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.409 -1.297 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 205 11.009 0.261 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 205 11.499 -0.999 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.881 -2.785 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.026 -3.246 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.364 -2.769 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.255 -0.401 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 205 8.698 -0.231 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 205 9.948 0.863 -2.421 1.00 0.00 H new ATOM 946 N GLY A 206 12.769 0.802 1.058 1.00 0.00 N ATOM 947 CA GLY A 206 13.476 1.947 1.608 1.00 0.00 C ATOM 948 C GLY A 206 12.522 2.861 2.377 1.00 0.00 C ATOM 949 O GLY A 206 11.330 2.912 2.082 1.00 0.00 O ATOM 0 H GLY A 206 11.779 0.756 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.271 1.604 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.952 2.507 0.803 1.00 0.00 H new ATOM 953 N PRO A 207 13.098 3.582 3.376 1.00 0.00 N ATOM 954 CA PRO A 207 12.312 4.493 4.192 1.00 0.00 C ATOM 955 C PRO A 207 11.977 5.770 3.419 1.00 0.00 C ATOM 956 O PRO A 207 12.299 6.871 3.863 1.00 0.00 O ATOM 957 CB PRO A 207 13.164 4.752 5.425 1.00 0.00 C ATOM 958 CG PRO A 207 14.580 4.352 5.044 1.00 0.00 C ATOM 959 CD PRO A 207 14.507 3.549 3.756 1.00 0.00 C ATOM 0 HA PRO A 207 11.344 4.078 4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 207 13.120 5.801 5.717 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.809 4.169 6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 207 15.203 5.236 4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 207 15.036 3.760 5.838 1.00 0.00 H new ATOM 0 HD2 PRO A 207 15.136 3.986 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.852 2.526 3.907 1.00 0.00 H new ATOM 967 N GLY A 208 11.332 5.579 2.276 1.00 0.00 N ATOM 968 CA GLY A 208 10.950 6.701 1.438 1.00 0.00 C ATOM 969 C GLY A 208 10.910 6.295 -0.037 1.00 0.00 C ATOM 970 O GLY A 208 11.406 7.021 -0.897 1.00 0.00 O ATOM 0 H GLY A 208 11.065 4.664 1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.971 7.071 1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.657 7.519 1.575 1.00 0.00 H new ATOM 974 N ALA A 209 10.314 5.137 -0.283 1.00 0.00 N ATOM 975 CA ALA A 209 10.202 4.627 -1.639 1.00 0.00 C ATOM 976 C ALA A 209 9.036 5.319 -2.346 1.00 0.00 C ATOM 977 O ALA A 209 8.165 5.896 -1.696 1.00 0.00 O ATOM 978 CB ALA A 209 10.040 3.106 -1.600 1.00 0.00 C ATOM 0 H ALA A 209 9.904 4.538 0.434 1.00 0.00 H new ATOM 0 HA ALA A 209 11.107 4.845 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 209 9.956 2.723 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 209 10.908 2.660 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.140 2.850 -1.040 1.00 0.00 H new ATOM 984 N THR A 210 9.057 5.240 -3.669 1.00 0.00 N ATOM 985 CA THR A 210 8.011 5.852 -4.471 1.00 0.00 C ATOM 986 C THR A 210 6.868 4.861 -4.705 1.00 0.00 C ATOM 987 O THR A 210 7.083 3.650 -4.703 1.00 0.00 O ATOM 988 CB THR A 210 8.647 6.362 -5.765 1.00 0.00 C ATOM 989 OG1 THR A 210 7.609 7.112 -6.390 1.00 0.00 O ATOM 990 CG2 THR A 210 8.940 5.235 -6.758 1.00 0.00 C ATOM 0 H THR A 210 9.781 4.762 -4.205 1.00 0.00 H new ATOM 0 HA THR A 210 7.562 6.701 -3.955 1.00 0.00 H new ATOM 0 HB THR A 210 9.572 6.889 -5.531 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.936 7.481 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.391 5.652 -7.659 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.628 4.521 -6.305 1.00 0.00 H new ATOM 0 HG23 THR A 210 8.011 4.729 -7.018 1.00 0.00 H new ATOM 998 N LEU A 211 5.679 5.413 -4.899 1.00 0.00 N ATOM 999 CA LEU A 211 4.504 4.592 -5.133 1.00 0.00 C ATOM 1000 C LEU A 211 4.839 3.507 -6.159 1.00 0.00 C ATOM 1001 O LEU A 211 4.359 2.380 -6.055 1.00 0.00 O ATOM 1002 CB LEU A 211 3.311 5.466 -5.529 1.00 0.00 C ATOM 1003 CG LEU A 211 1.992 4.730 -5.772 1.00 0.00 C ATOM 1004 CD1 LEU A 211 0.802 5.565 -5.293 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.853 4.323 -7.241 1.00 0.00 C ATOM 0 H LEU A 211 5.505 6.418 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 211 4.207 4.082 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.152 6.206 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.571 6.013 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 211 1.999 3.813 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.123 5.019 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.901 5.761 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 211 0.779 6.511 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.907 3.802 -7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 211 1.877 5.214 -7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 211 2.676 3.664 -7.515 1.00 0.00 H new ATOM 1017 N GLU A 212 5.661 3.887 -7.127 1.00 0.00 N ATOM 1018 CA GLU A 212 6.066 2.962 -8.170 1.00 0.00 C ATOM 1019 C GLU A 212 6.827 1.781 -7.566 1.00 0.00 C ATOM 1020 O GLU A 212 6.586 0.630 -7.929 1.00 0.00 O ATOM 1021 CB GLU A 212 6.907 3.669 -9.234 1.00 0.00 C ATOM 1022 CG GLU A 212 6.494 3.230 -10.640 1.00 0.00 C ATOM 1023 CD GLU A 212 7.175 1.916 -11.029 1.00 0.00 C ATOM 1024 OE1 GLU A 212 6.588 0.839 -10.853 1.00 0.00 O ATOM 1025 OE2 GLU A 212 8.357 2.043 -11.530 1.00 0.00 O ATOM 0 H GLU A 212 6.057 4.823 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 212 5.169 2.580 -8.658 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.790 4.748 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.962 3.447 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 212 5.412 3.109 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 212 6.757 4.006 -11.359 1.00 0.00 H new ATOM 1033 N GLU A 213 7.731 2.105 -6.652 1.00 0.00 N ATOM 1034 CA GLU A 213 8.530 1.084 -5.994 1.00 0.00 C ATOM 1035 C GLU A 213 7.646 0.218 -5.095 1.00 0.00 C ATOM 1036 O GLU A 213 7.795 -1.002 -5.064 1.00 0.00 O ATOM 1037 CB GLU A 213 9.673 1.715 -5.196 1.00 0.00 C ATOM 1038 CG GLU A 213 10.808 0.711 -4.980 1.00 0.00 C ATOM 1039 CD GLU A 213 11.951 0.955 -5.967 1.00 0.00 C ATOM 1040 OE1 GLU A 213 11.840 0.589 -7.148 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.983 1.548 -5.472 1.00 0.00 O ATOM 0 H GLU A 213 7.928 3.060 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 213 8.973 0.446 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.052 2.590 -5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.301 2.062 -4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.181 0.792 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.429 -0.304 -5.101 1.00 0.00 H new ATOM 1049 N MET A 214 6.745 0.883 -4.387 1.00 0.00 N ATOM 1050 CA MET A 214 5.838 0.187 -3.489 1.00 0.00 C ATOM 1051 C MET A 214 4.926 -0.767 -4.264 1.00 0.00 C ATOM 1052 O MET A 214 4.685 -1.891 -3.828 1.00 0.00 O ATOM 1053 CB MET A 214 4.985 1.209 -2.735 1.00 0.00 C ATOM 1054 CG MET A 214 5.858 2.118 -1.867 1.00 0.00 C ATOM 1055 SD MET A 214 5.046 2.442 -0.311 1.00 0.00 S ATOM 1056 CE MET A 214 6.468 2.741 0.725 1.00 0.00 C ATOM 0 H MET A 214 6.623 1.895 -4.417 1.00 0.00 H new ATOM 0 HA MET A 214 6.429 -0.398 -2.784 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.420 1.812 -3.446 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.259 0.691 -2.109 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.825 1.647 -1.691 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.051 3.056 -2.388 1.00 0.00 H new ATOM 0 HE1 MET A 214 6.139 2.943 1.744 1.00 0.00 H new ATOM 0 HE2 MET A 214 7.113 1.863 0.719 1.00 0.00 H new ATOM 0 HE3 MET A 214 7.021 3.600 0.345 1.00 0.00 H new ATOM 1066 N MET A 215 4.443 -0.282 -5.398 1.00 0.00 N ATOM 1067 CA MET A 215 3.562 -1.078 -6.236 1.00 0.00 C ATOM 1068 C MET A 215 4.321 -2.241 -6.880 1.00 0.00 C ATOM 1069 O MET A 215 3.768 -3.324 -7.061 1.00 0.00 O ATOM 1070 CB MET A 215 2.960 -0.193 -7.330 1.00 0.00 C ATOM 1071 CG MET A 215 1.988 -0.988 -8.205 1.00 0.00 C ATOM 1072 SD MET A 215 1.811 -0.196 -9.795 1.00 0.00 S ATOM 1073 CE MET A 215 0.289 -0.945 -10.347 1.00 0.00 C ATOM 0 H MET A 215 4.645 0.651 -5.756 1.00 0.00 H new ATOM 0 HA MET A 215 2.769 -1.488 -5.611 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.440 0.650 -6.875 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.757 0.220 -7.948 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.353 -2.007 -8.336 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.017 -1.058 -7.714 1.00 0.00 H new ATOM 0 HE1 MET A 215 0.030 -0.559 -11.333 1.00 0.00 H new ATOM 0 HE2 MET A 215 0.415 -2.026 -10.403 1.00 0.00 H new ATOM 0 HE3 MET A 215 -0.509 -0.708 -9.643 1.00 0.00 H new ATOM 1083 N THR A 216 5.578 -1.975 -7.209 1.00 0.00 N ATOM 1084 CA THR A 216 6.418 -2.986 -7.828 1.00 0.00 C ATOM 1085 C THR A 216 6.711 -4.116 -6.840 1.00 0.00 C ATOM 1086 O THR A 216 6.757 -5.283 -7.221 1.00 0.00 O ATOM 1087 CB THR A 216 7.678 -2.295 -8.353 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.408 -2.082 -9.735 1.00 0.00 O ATOM 1089 CG2 THR A 216 8.896 -3.221 -8.349 1.00 0.00 C ATOM 0 H THR A 216 6.034 -1.075 -7.058 1.00 0.00 H new ATOM 0 HA THR A 216 5.913 -3.458 -8.671 1.00 0.00 H new ATOM 0 HB THR A 216 7.889 -1.414 -7.747 1.00 0.00 H new ATOM 0 HG1 THR A 216 7.161 -1.145 -9.879 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.764 -2.683 -8.731 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.095 -3.555 -7.331 1.00 0.00 H new ATOM 0 HG23 THR A 216 8.698 -4.085 -8.983 1.00 0.00 H new ATOM 1097 N ALA A 217 6.900 -3.729 -5.587 1.00 0.00 N ATOM 1098 CA ALA A 217 7.188 -4.694 -4.541 1.00 0.00 C ATOM 1099 C ALA A 217 5.919 -5.488 -4.222 1.00 0.00 C ATOM 1100 O ALA A 217 5.981 -6.689 -3.968 1.00 0.00 O ATOM 1101 CB ALA A 217 7.743 -3.967 -3.314 1.00 0.00 C ATOM 0 H ALA A 217 6.859 -2.759 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 217 7.947 -5.403 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 217 7.959 -4.691 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.659 -3.442 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.007 -3.249 -2.953 1.00 0.00 H new ATOM 1107 N CYS A 218 4.796 -4.783 -4.248 1.00 0.00 N ATOM 1108 CA CYS A 218 3.515 -5.407 -3.967 1.00 0.00 C ATOM 1109 C CYS A 218 3.244 -6.456 -5.046 1.00 0.00 C ATOM 1110 O CYS A 218 2.772 -7.553 -4.746 1.00 0.00 O ATOM 1111 CB CYS A 218 2.390 -4.374 -3.878 1.00 0.00 C ATOM 1112 SG CYS A 218 0.927 -5.109 -3.062 1.00 0.00 S ATOM 0 H CYS A 218 4.748 -3.786 -4.459 1.00 0.00 H new ATOM 0 HA CYS A 218 3.550 -5.893 -2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.729 -3.502 -3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.124 -4.028 -4.877 1.00 0.00 H new ATOM 0 HG CYS A 218 0.110 -4.164 -2.702 1.00 0.00 H new ATOM 1118 N GLN A 219 3.553 -6.084 -6.280 1.00 0.00 N ATOM 1119 CA GLN A 219 3.347 -6.980 -7.405 1.00 0.00 C ATOM 1120 C GLN A 219 4.194 -8.243 -7.240 1.00 0.00 C ATOM 1121 O GLN A 219 3.866 -9.293 -7.791 1.00 0.00 O ATOM 1122 CB GLN A 219 3.662 -6.279 -8.728 1.00 0.00 C ATOM 1123 CG GLN A 219 2.480 -6.373 -9.694 1.00 0.00 C ATOM 1124 CD GLN A 219 2.933 -6.147 -11.138 1.00 0.00 C ATOM 1125 OE1 GLN A 219 3.121 -7.073 -11.909 1.00 0.00 O ATOM 1126 NE2 GLN A 219 3.095 -4.866 -11.459 1.00 0.00 N ATOM 0 H GLN A 219 3.944 -5.174 -6.525 1.00 0.00 H new ATOM 0 HA GLN A 219 2.297 -7.270 -7.425 1.00 0.00 H new ATOM 0 HB2 GLN A 219 3.901 -5.232 -8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.544 -6.731 -9.182 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.010 -7.353 -9.605 1.00 0.00 H new ATOM 0 HG3 GLN A 219 1.726 -5.633 -9.425 1.00 0.00 H new ATOM 0 HE21 GLN A 219 2.920 -4.140 -10.764 1.00 0.00 H new ATOM 0 HE22 GLN A 219 3.394 -4.610 -12.400 1.00 0.00 H new ATOM 1135 N GLY A 220 5.269 -8.101 -6.477 1.00 0.00 N ATOM 1136 CA GLY A 220 6.165 -9.218 -6.232 1.00 0.00 C ATOM 1137 C GLY A 220 5.575 -10.176 -5.195 1.00 0.00 C ATOM 1138 O GLY A 220 5.798 -11.384 -5.263 1.00 0.00 O ATOM 0 H GLY A 220 5.539 -7.230 -6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.349 -9.753 -7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.128 -8.846 -5.883 1.00 0.00 H new ATOM 1142 N VAL A 221 4.836 -9.602 -4.258 1.00 0.00 N ATOM 1143 CA VAL A 221 4.214 -10.389 -3.207 1.00 0.00 C ATOM 1144 C VAL A 221 3.523 -11.604 -3.829 1.00 0.00 C ATOM 1145 O VAL A 221 3.035 -11.536 -4.957 1.00 0.00 O ATOM 1146 CB VAL A 221 3.262 -9.514 -2.390 1.00 0.00 C ATOM 1147 CG1 VAL A 221 1.856 -9.520 -2.993 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.231 -9.955 -0.926 1.00 0.00 C ATOM 0 H VAL A 221 4.654 -8.600 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 221 4.967 -10.762 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 221 3.637 -8.491 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.200 -8.890 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 221 1.896 -9.135 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.470 -10.539 -3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.546 -9.316 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 221 2.893 -10.990 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.231 -9.874 -0.500 1.00 0.00 H new