USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 471 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 155 GLN : amide:sc= -10.4! C(o=-21!,f=-34!) USER MOD Set 1.2: A 195 ASN : amide:sc= -9.08! C(o=-21!,f=-38!) USER MOD Set 1.3: A 198 CYS SG : rot -24:sc= 0.134 USER MOD Set 1.4: A 218 CYS SG : rot -29:sc= -1.32 USER MOD Single : A 149 SER OG : rot 140:sc= -0.869 USER MOD Single : A 164 TYR OH : rot -164:sc= -0.814 USER MOD Single : A 169 TYR OH : rot 15:sc= -0.669 USER MOD Single : A 170 LYS NZ :NH3+ -121:sc= 0.463 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 81:sc= -0.795 USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc=-0.00697 X(o=-0.007,f=-0.14) USER MOD Single : A 193 ASN : amide:sc= -4.46! C(o=-4.5!,f=-4.8!) 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 -168:sc= -0.248 (180deg=-0.742) USER MOD Single : A 215 MET CE :methyl 169:sc= -0.18 (180deg=-0.617) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= -0.0965 K(o=-0.096,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.756 4.797 7.022 1.00 0.00 N ATOM 16 CA SER A 149 -12.494 5.176 7.634 1.00 0.00 C ATOM 17 C SER A 149 -11.326 4.642 6.801 1.00 0.00 C ATOM 18 O SER A 149 -11.527 3.839 5.890 1.00 0.00 O ATOM 19 CB SER A 149 -12.402 4.659 9.071 1.00 0.00 C ATOM 20 OG SER A 149 -11.322 5.256 9.785 1.00 0.00 O ATOM 0 HA SER A 149 -12.442 6.264 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 149 -13.338 4.864 9.591 1.00 0.00 H new ATOM 0 HB3 SER A 149 -12.275 3.577 9.059 1.00 0.00 H new ATOM 0 HG SER A 149 -11.606 5.453 10.702 1.00 0.00 H new ATOM 26 N ILE A 150 -10.135 5.107 7.144 1.00 0.00 N ATOM 27 CA ILE A 150 -8.935 4.686 6.439 1.00 0.00 C ATOM 28 C ILE A 150 -8.598 3.246 6.833 1.00 0.00 C ATOM 29 O ILE A 150 -7.860 2.562 6.125 1.00 0.00 O ATOM 30 CB ILE A 150 -7.794 5.675 6.686 1.00 0.00 C ATOM 31 CG1 ILE A 150 -8.266 7.117 6.484 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.582 5.340 5.814 1.00 0.00 C ATOM 33 CD1 ILE A 150 -8.106 7.547 5.025 1.00 0.00 C ATOM 0 H ILE A 150 -9.974 5.771 7.901 1.00 0.00 H new ATOM 0 HA ILE A 150 -9.103 4.692 5.362 1.00 0.00 H new ATOM 0 HB ILE A 150 -7.479 5.583 7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -9.311 7.206 6.781 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.694 7.784 7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.785 6.057 6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -6.231 4.335 6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.866 5.388 4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.449 8.575 4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -7.056 7.480 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.699 6.893 4.386 1.00 0.00 H new ATOM 45 N LEU A 151 -9.156 2.829 7.959 1.00 0.00 N ATOM 46 CA LEU A 151 -8.922 1.484 8.456 1.00 0.00 C ATOM 47 C LEU A 151 -9.490 0.471 7.456 1.00 0.00 C ATOM 48 O LEU A 151 -8.908 -0.592 7.248 1.00 0.00 O ATOM 49 CB LEU A 151 -9.482 1.329 9.872 1.00 0.00 C ATOM 50 CG LEU A 151 -11.006 1.348 9.996 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.558 -0.065 10.195 1.00 0.00 C ATOM 52 CD2 LEU A 151 -11.454 2.301 11.107 1.00 0.00 C ATOM 0 H LEU A 151 -9.770 3.399 8.542 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.853 1.289 8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -9.115 0.389 10.285 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -9.077 2.129 10.491 1.00 0.00 H new ATOM 0 HG LEU A 151 -11.420 1.726 9.061 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.644 -0.023 10.280 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -11.285 -0.686 9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -11.139 -0.494 11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -12.542 2.296 11.174 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -11.030 1.977 12.057 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -11.109 3.310 10.882 1.00 0.00 H new ATOM 64 N ASP A 152 -10.618 0.839 6.868 1.00 0.00 N ATOM 65 CA ASP A 152 -11.269 -0.025 5.897 1.00 0.00 C ATOM 66 C ASP A 152 -10.355 -0.202 4.684 1.00 0.00 C ATOM 67 O ASP A 152 -10.490 -1.168 3.936 1.00 0.00 O ATOM 68 CB ASP A 152 -12.585 0.588 5.411 1.00 0.00 C ATOM 69 CG ASP A 152 -13.665 -0.424 5.024 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.665 -0.963 3.907 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.546 -0.656 5.936 1.00 0.00 O ATOM 0 H ASP A 152 -11.098 1.722 7.044 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.471 -0.982 6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.979 1.235 6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.377 1.222 4.549 1.00 0.00 H new ATOM 77 N ILE A 153 -9.442 0.746 4.527 1.00 0.00 N ATOM 78 CA ILE A 153 -8.505 0.707 3.417 1.00 0.00 C ATOM 79 C ILE A 153 -7.359 -0.249 3.757 1.00 0.00 C ATOM 80 O ILE A 153 -6.441 0.112 4.490 1.00 0.00 O ATOM 81 CB ILE A 153 -8.040 2.119 3.058 1.00 0.00 C ATOM 82 CG1 ILE A 153 -9.191 2.944 2.479 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.835 2.078 2.116 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.381 2.978 3.442 1.00 0.00 C ATOM 0 H ILE A 153 -9.331 1.546 5.150 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.991 0.319 2.522 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.716 2.614 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.851 3.960 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.503 2.520 1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.525 3.095 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -6.012 1.552 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.108 1.557 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -11.185 3.571 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.734 1.962 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -10.072 3.425 4.387 1.00 0.00 H new ATOM 96 N ARG A 154 -7.453 -1.452 3.207 1.00 0.00 N ATOM 97 CA ARG A 154 -6.435 -2.463 3.443 1.00 0.00 C ATOM 98 C ARG A 154 -6.226 -3.308 2.185 1.00 0.00 C ATOM 99 O ARG A 154 -7.055 -3.289 1.275 1.00 0.00 O ATOM 100 CB ARG A 154 -6.827 -3.378 4.605 1.00 0.00 C ATOM 101 CG ARG A 154 -8.215 -3.983 4.383 1.00 0.00 C ATOM 102 CD ARG A 154 -8.377 -5.286 5.168 1.00 0.00 C ATOM 103 NE ARG A 154 -8.776 -6.380 4.255 1.00 0.00 N ATOM 104 CZ ARG A 154 -8.882 -7.675 4.627 1.00 0.00 C ATOM 105 NH1 ARG A 154 -8.621 -8.046 5.897 1.00 0.00 N ATOM 106 NH2 ARG A 154 -9.245 -8.570 3.727 1.00 0.00 N ATOM 0 H ARG A 154 -8.217 -1.749 2.600 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.508 -1.949 3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -6.091 -4.175 4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -6.818 -2.813 5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -8.980 -3.271 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -8.367 -4.173 3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.441 -5.539 5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -9.128 -5.160 5.948 1.00 0.00 H new ATOM 0 HE ARG A 154 -8.984 -6.142 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -8.341 -7.347 6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -8.703 -9.026 6.169 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -9.440 -8.280 2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -9.330 -9.552 3.990 1.00 0.00 H new ATOM 120 N GLN A 155 -5.116 -4.030 2.173 1.00 0.00 N ATOM 121 CA GLN A 155 -4.787 -4.880 1.042 1.00 0.00 C ATOM 122 C GLN A 155 -5.692 -6.114 1.025 1.00 0.00 C ATOM 123 O GLN A 155 -5.369 -7.134 1.629 1.00 0.00 O ATOM 124 CB GLN A 155 -3.311 -5.284 1.068 1.00 0.00 C ATOM 125 CG GLN A 155 -2.500 -4.461 0.066 1.00 0.00 C ATOM 126 CD GLN A 155 -1.134 -4.083 0.644 1.00 0.00 C ATOM 127 OE1 GLN A 155 -1.003 -3.706 1.797 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.130 -4.206 -0.217 1.00 0.00 N ATOM 0 H GLN A 155 -4.432 -4.044 2.930 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.958 -4.314 0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.909 -5.142 2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.216 -6.344 0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.365 -5.031 -0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -3.050 -3.558 -0.197 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -0.310 -4.527 -1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.821 -3.979 0.073 1.00 0.00 H new ATOM 196 N PRO A 160 -6.051 -5.661 -5.604 1.00 0.00 N ATOM 197 CA PRO A 160 -4.639 -5.401 -5.828 1.00 0.00 C ATOM 198 C PRO A 160 -4.166 -4.199 -5.008 1.00 0.00 C ATOM 199 O PRO A 160 -4.963 -3.552 -4.330 1.00 0.00 O ATOM 200 CB PRO A 160 -4.512 -5.185 -7.328 1.00 0.00 C ATOM 201 CG PRO A 160 -5.916 -4.871 -7.823 1.00 0.00 C ATOM 202 CD PRO A 160 -6.893 -5.241 -6.720 1.00 0.00 C ATOM 0 HA PRO A 160 -4.003 -6.224 -5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -3.828 -4.366 -7.548 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.114 -6.073 -7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.005 -3.814 -8.073 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.135 -5.433 -8.731 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.520 -4.393 -6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.561 -6.042 -7.035 1.00 0.00 H new ATOM 210 N PHE A 161 -2.871 -3.935 -5.097 1.00 0.00 N ATOM 211 CA PHE A 161 -2.281 -2.823 -4.372 1.00 0.00 C ATOM 212 C PHE A 161 -2.782 -1.484 -4.920 1.00 0.00 C ATOM 213 O PHE A 161 -2.979 -0.535 -4.164 1.00 0.00 O ATOM 214 CB PHE A 161 -0.767 -2.909 -4.574 1.00 0.00 C ATOM 215 CG PHE A 161 0.033 -1.950 -3.690 1.00 0.00 C ATOM 216 CD1 PHE A 161 -0.085 -2.014 -2.337 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.865 -1.035 -4.257 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.658 -1.125 -1.516 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.607 -0.146 -3.437 1.00 0.00 C ATOM 220 CZ PHE A 161 1.489 -0.209 -2.085 1.00 0.00 C ATOM 0 H PHE A 161 -2.213 -4.473 -5.661 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.554 -2.879 -3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.441 -3.930 -4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.538 -2.701 -5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.744 -2.741 -1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.961 -0.985 -5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.564 -1.175 -0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.266 0.581 -3.888 1.00 0.00 H new ATOM 0 HZ PHE A 161 2.055 0.468 -1.462 1.00 0.00 H new ATOM 230 N ARG A 162 -2.972 -1.452 -6.231 1.00 0.00 N ATOM 231 CA ARG A 162 -3.447 -0.247 -6.890 1.00 0.00 C ATOM 232 C ARG A 162 -4.821 0.149 -6.346 1.00 0.00 C ATOM 233 O ARG A 162 -5.061 1.319 -6.048 1.00 0.00 O ATOM 234 CB ARG A 162 -3.544 -0.448 -8.403 1.00 0.00 C ATOM 235 CG ARG A 162 -3.074 0.801 -9.152 1.00 0.00 C ATOM 236 CD ARG A 162 -2.869 0.504 -10.639 1.00 0.00 C ATOM 237 NE ARG A 162 -1.752 1.316 -11.169 1.00 0.00 N ATOM 238 CZ ARG A 162 -1.280 1.224 -12.431 1.00 0.00 C ATOM 239 NH1 ARG A 162 -1.828 0.351 -13.304 1.00 0.00 N ATOM 240 NH2 ARG A 162 -0.276 1.999 -12.797 1.00 0.00 N ATOM 0 H ARG A 162 -2.806 -2.242 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.729 0.547 -6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.938 -1.304 -8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.574 -0.676 -8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.809 1.598 -9.035 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.141 1.161 -8.717 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.658 -0.556 -10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.783 0.723 -11.191 1.00 0.00 H new ATOM 0 HE ARG A 162 -1.310 1.988 -10.542 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -2.603 -0.244 -13.012 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -1.467 0.287 -14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 162 0.131 2.655 -12.130 1.00 0.00 H new ATOM 0 HH22 ARG A 162 0.092 1.942 -13.746 1.00 0.00 H new ATOM 254 N ASP A 163 -5.687 -0.848 -6.233 1.00 0.00 N ATOM 255 CA ASP A 163 -7.031 -0.617 -5.731 1.00 0.00 C ATOM 256 C ASP A 163 -6.957 -0.207 -4.259 1.00 0.00 C ATOM 257 O ASP A 163 -7.747 0.617 -3.800 1.00 0.00 O ATOM 258 CB ASP A 163 -7.880 -1.888 -5.825 1.00 0.00 C ATOM 259 CG ASP A 163 -8.304 -2.276 -7.242 1.00 0.00 C ATOM 260 OD1 ASP A 163 -9.435 -2.733 -7.468 1.00 0.00 O ATOM 261 OD2 ASP A 163 -7.407 -2.093 -8.151 1.00 0.00 O ATOM 0 H ASP A 163 -5.484 -1.817 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.487 0.167 -6.335 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.319 -2.715 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.775 -1.755 -5.217 1.00 0.00 H new ATOM 267 N TYR A 164 -6.002 -0.801 -3.559 1.00 0.00 N ATOM 268 CA TYR A 164 -5.815 -0.508 -2.148 1.00 0.00 C ATOM 269 C TYR A 164 -5.322 0.927 -1.946 1.00 0.00 C ATOM 270 O TYR A 164 -5.765 1.615 -1.030 1.00 0.00 O ATOM 271 CB TYR A 164 -4.739 -1.478 -1.655 1.00 0.00 C ATOM 272 CG TYR A 164 -4.118 -1.088 -0.311 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.931 -0.785 0.761 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.747 -1.040 -0.174 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.347 -0.418 2.026 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.163 -0.674 1.090 1.00 0.00 C ATOM 277 CZ TYR A 164 -2.992 -0.380 2.127 1.00 0.00 C ATOM 278 OH TYR A 164 -2.440 -0.034 3.321 1.00 0.00 O ATOM 0 H TYR A 164 -5.349 -1.484 -3.943 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.755 -0.615 -1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -5.174 -2.473 -1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.950 -1.540 -2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -6.005 -0.823 0.652 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -2.111 -1.277 -1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -4.971 -0.179 2.874 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.091 -0.634 1.212 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.495 0.191 3.192 1.00 0.00 H new ATOM 288 N VAL A 165 -4.412 1.334 -2.820 1.00 0.00 N ATOM 289 CA VAL A 165 -3.855 2.674 -2.749 1.00 0.00 C ATOM 290 C VAL A 165 -4.944 3.693 -3.087 1.00 0.00 C ATOM 291 O VAL A 165 -5.076 4.714 -2.412 1.00 0.00 O ATOM 292 CB VAL A 165 -2.632 2.780 -3.664 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.409 4.225 -4.115 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.385 2.222 -2.978 1.00 0.00 C ATOM 0 H VAL A 165 -4.047 0.760 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.509 2.892 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.824 2.177 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.534 4.273 -4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.285 4.575 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.248 4.858 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.531 2.309 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.189 2.785 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.545 1.173 -2.729 1.00 0.00 H new ATOM 304 N ASP A 166 -5.699 3.381 -4.130 1.00 0.00 N ATOM 305 CA ASP A 166 -6.774 4.258 -4.564 1.00 0.00 C ATOM 306 C ASP A 166 -7.751 4.474 -3.406 1.00 0.00 C ATOM 307 O ASP A 166 -8.175 5.599 -3.149 1.00 0.00 O ATOM 308 CB ASP A 166 -7.550 3.641 -5.730 1.00 0.00 C ATOM 309 CG ASP A 166 -8.376 4.631 -6.552 1.00 0.00 C ATOM 310 OD1 ASP A 166 -9.535 4.361 -6.904 1.00 0.00 O ATOM 311 OD2 ASP A 166 -7.777 5.737 -6.837 1.00 0.00 O ATOM 0 H ASP A 166 -5.588 2.534 -4.687 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.331 5.201 -4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.844 3.142 -6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.216 2.873 -5.337 1.00 0.00 H new ATOM 317 N ARG A 167 -8.078 3.377 -2.740 1.00 0.00 N ATOM 318 CA ARG A 167 -8.997 3.432 -1.615 1.00 0.00 C ATOM 319 C ARG A 167 -8.407 4.285 -0.489 1.00 0.00 C ATOM 320 O ARG A 167 -9.106 5.103 0.106 1.00 0.00 O ATOM 321 CB ARG A 167 -9.298 2.030 -1.081 1.00 0.00 C ATOM 322 CG ARG A 167 -10.790 1.865 -0.782 1.00 0.00 C ATOM 323 CD ARG A 167 -11.248 0.431 -1.057 1.00 0.00 C ATOM 324 NE ARG A 167 -12.412 0.439 -1.972 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.318 0.497 -3.318 1.00 0.00 C ATOM 326 NH1 ARG A 167 -11.110 0.551 -3.917 1.00 0.00 N ATOM 327 NH2 ARG A 167 -13.424 0.499 -4.037 1.00 0.00 N ATOM 0 H ARG A 167 -7.724 2.445 -2.957 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.926 3.881 -1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.985 1.284 -1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.720 1.850 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.986 2.120 0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.366 2.559 -1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.432 -0.142 -1.498 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.514 -0.061 -0.121 1.00 0.00 H new ATOM 0 HE ARG A 167 -13.344 0.398 -1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -10.260 0.548 -3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -11.047 0.595 -4.934 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -14.333 0.457 -3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -13.371 0.542 -5.055 1.00 0.00 H new ATOM 341 N PHE A 168 -7.126 4.062 -0.230 1.00 0.00 N ATOM 342 CA PHE A 168 -6.435 4.799 0.813 1.00 0.00 C ATOM 343 C PHE A 168 -6.497 6.305 0.553 1.00 0.00 C ATOM 344 O PHE A 168 -6.808 7.083 1.455 1.00 0.00 O ATOM 345 CB PHE A 168 -4.974 4.348 0.787 1.00 0.00 C ATOM 346 CG PHE A 168 -4.114 4.958 1.895 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.532 6.175 1.714 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.930 4.284 3.062 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.735 6.740 2.743 1.00 0.00 C ATOM 350 CE2 PHE A 168 -3.131 4.850 4.091 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.551 6.066 3.910 1.00 0.00 C ATOM 0 H PHE A 168 -6.550 3.381 -0.725 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.903 4.605 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.938 3.262 0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.541 4.608 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.677 6.710 0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.391 3.318 3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.274 7.706 2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.984 4.314 5.017 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.944 6.497 4.693 1.00 0.00 H new ATOM 361 N TYR A 169 -6.195 6.673 -0.682 1.00 0.00 N ATOM 362 CA TYR A 169 -6.211 8.072 -1.073 1.00 0.00 C ATOM 363 C TYR A 169 -7.647 8.586 -1.211 1.00 0.00 C ATOM 364 O TYR A 169 -7.887 9.790 -1.149 1.00 0.00 O ATOM 365 CB TYR A 169 -5.524 8.138 -2.438 1.00 0.00 C ATOM 366 CG TYR A 169 -3.997 8.083 -2.370 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.375 7.075 -1.661 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.243 9.040 -3.016 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.937 7.024 -1.597 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.805 8.989 -2.952 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.223 7.982 -2.245 1.00 0.00 C ATOM 372 OH TYR A 169 0.135 7.933 -2.184 1.00 0.00 O ATOM 0 H TYR A 169 -5.937 6.026 -1.427 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.710 8.685 -0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.880 7.311 -3.053 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.822 9.059 -2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.966 6.326 -1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.731 9.828 -3.570 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.437 6.241 -1.046 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.203 9.732 -3.453 1.00 0.00 H new ATOM 0 HH TYR A 169 0.416 7.052 -1.859 1.00 0.00 H new ATOM 382 N LYS A 170 -8.562 7.646 -1.398 1.00 0.00 N ATOM 383 CA LYS A 170 -9.965 7.988 -1.547 1.00 0.00 C ATOM 384 C LYS A 170 -10.526 8.425 -0.192 1.00 0.00 C ATOM 385 O LYS A 170 -11.238 9.424 -0.102 1.00 0.00 O ATOM 386 CB LYS A 170 -10.735 6.830 -2.187 1.00 0.00 C ATOM 387 CG LYS A 170 -10.791 6.985 -3.708 1.00 0.00 C ATOM 388 CD LYS A 170 -11.026 5.633 -4.387 1.00 0.00 C ATOM 389 CE LYS A 170 -12.450 5.538 -4.939 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.467 4.765 -6.201 1.00 0.00 N ATOM 0 H LYS A 170 -8.358 6.648 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 170 -10.081 8.832 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.256 5.885 -1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.747 6.794 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.590 7.676 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.859 7.420 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.308 5.499 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -10.855 4.828 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -13.100 5.061 -4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -12.846 6.538 -5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -12.849 5.357 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -11.499 4.471 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -13.065 3.922 -6.084 1.00 0.00 H new ATOM 404 N THR A 171 -10.184 7.652 0.831 1.00 0.00 N ATOM 405 CA THR A 171 -10.644 7.946 2.176 1.00 0.00 C ATOM 406 C THR A 171 -9.881 9.140 2.751 1.00 0.00 C ATOM 407 O THR A 171 -10.451 9.955 3.478 1.00 0.00 O ATOM 408 CB THR A 171 -10.502 6.674 3.013 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.383 5.745 2.388 1.00 0.00 O ATOM 410 CG2 THR A 171 -11.069 6.833 4.425 1.00 0.00 C ATOM 0 H THR A 171 -9.594 6.824 0.753 1.00 0.00 H new ATOM 0 HA THR A 171 -11.694 8.239 2.180 1.00 0.00 H new ATOM 0 HB THR A 171 -9.449 6.398 3.074 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.944 5.355 1.604 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.942 5.901 4.975 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.540 7.634 4.941 1.00 0.00 H new ATOM 0 HG23 THR A 171 -12.130 7.078 4.366 1.00 0.00 H new ATOM 418 N LEU A 172 -8.604 9.207 2.407 1.00 0.00 N ATOM 419 CA LEU A 172 -7.757 10.289 2.880 1.00 0.00 C ATOM 420 C LEU A 172 -8.363 11.629 2.457 1.00 0.00 C ATOM 421 O LEU A 172 -8.491 12.541 3.272 1.00 0.00 O ATOM 422 CB LEU A 172 -6.316 10.089 2.406 1.00 0.00 C ATOM 423 CG LEU A 172 -5.877 10.944 1.216 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.865 12.429 1.584 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.524 10.477 0.674 1.00 0.00 C ATOM 0 H LEU A 172 -8.135 8.530 1.806 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.713 10.289 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.648 10.295 3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.183 9.040 2.143 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.606 10.816 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.549 13.015 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.866 12.737 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -5.171 12.594 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.235 11.102 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.771 10.557 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.601 9.439 0.349 1.00 0.00 H new ATOM 437 N ARG A 173 -8.718 11.705 1.183 1.00 0.00 N ATOM 438 CA ARG A 173 -9.309 12.918 0.642 1.00 0.00 C ATOM 439 C ARG A 173 -10.793 12.992 1.001 1.00 0.00 C ATOM 440 O ARG A 173 -11.493 13.912 0.580 1.00 0.00 O ATOM 441 CB ARG A 173 -9.154 12.973 -0.879 1.00 0.00 C ATOM 442 CG ARG A 173 -8.654 14.348 -1.329 1.00 0.00 C ATOM 443 CD ARG A 173 -9.554 14.927 -2.423 1.00 0.00 C ATOM 444 NE ARG A 173 -8.955 16.167 -2.967 1.00 0.00 N ATOM 445 CZ ARG A 173 -9.447 16.843 -4.026 1.00 0.00 C ATOM 446 NH1 ARG A 173 -10.552 16.405 -4.665 1.00 0.00 N ATOM 447 NH2 ARG A 173 -8.831 17.940 -4.427 1.00 0.00 N ATOM 0 H ARG A 173 -8.608 10.947 0.510 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.785 13.767 1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -8.455 12.203 -1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.111 12.756 -1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.629 15.027 -0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.632 14.264 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -9.686 14.197 -3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -10.543 15.139 -2.017 1.00 0.00 H new ATOM 0 HE ARG A 173 -8.118 16.533 -2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -11.022 15.557 -4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -10.917 16.922 -5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -7.997 18.264 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -9.189 18.463 -5.226 1.00 0.00 H new ATOM 461 N ALA A 174 -11.233 12.009 1.775 1.00 0.00 N ATOM 462 CA ALA A 174 -12.622 11.952 2.194 1.00 0.00 C ATOM 463 C ALA A 174 -12.787 12.718 3.509 1.00 0.00 C ATOM 464 O ALA A 174 -13.890 13.133 3.855 1.00 0.00 O ATOM 465 CB ALA A 174 -13.060 10.490 2.313 1.00 0.00 C ATOM 0 H ALA A 174 -10.651 11.247 2.122 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.265 12.427 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.103 10.447 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -12.952 9.998 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.438 9.983 3.050 1.00 0.00 H new ATOM 630 N THR A 186 1.214 9.426 6.133 1.00 0.00 N ATOM 631 CA THR A 186 0.413 8.768 5.115 1.00 0.00 C ATOM 632 C THR A 186 1.072 7.457 4.683 1.00 0.00 C ATOM 633 O THR A 186 0.563 6.376 4.976 1.00 0.00 O ATOM 634 CB THR A 186 0.211 9.754 3.962 1.00 0.00 C ATOM 635 OG1 THR A 186 -0.894 10.551 4.378 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.283 9.069 2.686 1.00 0.00 C ATOM 0 HA THR A 186 -0.568 8.491 5.502 1.00 0.00 H new ATOM 0 HB THR A 186 1.149 10.271 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 186 -1.093 11.219 3.689 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.410 9.813 1.899 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.446 8.324 2.367 1.00 0.00 H new ATOM 0 HG23 THR A 186 -1.238 8.581 2.881 1.00 0.00 H new ATOM 644 N GLU A 187 2.196 7.594 3.995 1.00 0.00 N ATOM 645 CA GLU A 187 2.930 6.434 3.520 1.00 0.00 C ATOM 646 C GLU A 187 3.042 5.386 4.629 1.00 0.00 C ATOM 647 O GLU A 187 2.929 4.189 4.371 1.00 0.00 O ATOM 648 CB GLU A 187 4.313 6.834 3.003 1.00 0.00 C ATOM 649 CG GLU A 187 4.942 5.703 2.187 1.00 0.00 C ATOM 650 CD GLU A 187 5.418 6.209 0.824 1.00 0.00 C ATOM 651 OE1 GLU A 187 6.537 5.883 0.398 1.00 0.00 O ATOM 652 OE2 GLU A 187 4.581 6.966 0.201 1.00 0.00 O ATOM 0 H GLU A 187 2.616 8.492 3.755 1.00 0.00 H new ATOM 0 HA GLU A 187 2.379 5.996 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.230 7.729 2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.961 7.085 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 187 5.783 5.279 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 187 4.215 4.902 2.048 1.00 0.00 H new ATOM 660 N THR A 188 3.262 5.875 5.841 1.00 0.00 N ATOM 661 CA THR A 188 3.391 4.996 6.991 1.00 0.00 C ATOM 662 C THR A 188 2.064 4.288 7.271 1.00 0.00 C ATOM 663 O THR A 188 2.049 3.130 7.684 1.00 0.00 O ATOM 664 CB THR A 188 3.895 5.831 8.171 1.00 0.00 C ATOM 665 OG1 THR A 188 4.982 5.072 8.692 1.00 0.00 O ATOM 666 CG2 THR A 188 2.890 5.882 9.323 1.00 0.00 C ATOM 0 H THR A 188 3.354 6.869 6.051 1.00 0.00 H new ATOM 0 HA THR A 188 4.114 4.203 6.804 1.00 0.00 H new ATOM 0 HB THR A 188 4.111 6.845 7.833 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.370 5.541 9.460 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.296 6.486 10.134 1.00 0.00 H new ATOM 0 HG22 THR A 188 1.957 6.324 8.973 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.699 4.871 9.684 1.00 0.00 H new ATOM 674 N LEU A 189 0.980 5.013 7.034 1.00 0.00 N ATOM 675 CA LEU A 189 -0.347 4.470 7.257 1.00 0.00 C ATOM 676 C LEU A 189 -0.613 3.353 6.244 1.00 0.00 C ATOM 677 O LEU A 189 -1.082 2.276 6.612 1.00 0.00 O ATOM 678 CB LEU A 189 -1.395 5.584 7.229 1.00 0.00 C ATOM 679 CG LEU A 189 -1.938 6.028 8.590 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.797 7.287 8.453 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.696 4.888 9.274 1.00 0.00 C ATOM 0 H LEU A 189 0.995 5.973 6.689 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.413 4.026 8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.961 6.452 6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.233 5.252 6.616 1.00 0.00 H new ATOM 0 HG LEU A 189 -1.093 6.283 9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.170 7.581 9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -2.195 8.095 8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.638 7.083 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -3.072 5.228 10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.533 4.580 8.647 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -2.024 4.043 9.424 1.00 0.00 H new ATOM 693 N LEU A 190 -0.300 3.647 4.991 1.00 0.00 N ATOM 694 CA LEU A 190 -0.498 2.682 3.924 1.00 0.00 C ATOM 695 C LEU A 190 0.291 1.410 4.240 1.00 0.00 C ATOM 696 O LEU A 190 -0.210 0.301 4.056 1.00 0.00 O ATOM 697 CB LEU A 190 -0.148 3.301 2.569 1.00 0.00 C ATOM 698 CG LEU A 190 -0.268 2.375 1.357 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.561 2.642 0.586 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.967 2.484 0.459 1.00 0.00 C ATOM 0 H LEU A 190 0.090 4.541 4.691 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.548 2.399 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -0.795 4.163 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.875 3.674 2.616 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.316 1.347 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.620 1.970 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.416 2.472 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.570 3.675 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.856 1.816 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.071 3.510 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.855 2.204 1.026 1.00 0.00 H new ATOM 712 N VAL A 191 1.513 1.610 4.711 1.00 0.00 N ATOM 713 CA VAL A 191 2.377 0.494 5.055 1.00 0.00 C ATOM 714 C VAL A 191 1.779 -0.260 6.245 1.00 0.00 C ATOM 715 O VAL A 191 1.663 -1.483 6.215 1.00 0.00 O ATOM 716 CB VAL A 191 3.799 0.993 5.315 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.639 -0.083 6.009 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.465 1.457 4.018 1.00 0.00 C ATOM 0 H VAL A 191 1.926 2.530 4.863 1.00 0.00 H new ATOM 0 HA VAL A 191 2.442 -0.209 4.225 1.00 0.00 H new ATOM 0 HB VAL A 191 3.735 1.852 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.646 0.297 6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.180 -0.344 6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.690 -0.969 5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.475 1.807 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.510 0.626 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.885 2.270 3.582 1.00 0.00 H new ATOM 728 N GLN A 192 1.418 0.504 7.265 1.00 0.00 N ATOM 729 CA GLN A 192 0.835 -0.076 8.464 1.00 0.00 C ATOM 730 C GLN A 192 -0.505 -0.736 8.137 1.00 0.00 C ATOM 731 O GLN A 192 -0.825 -1.799 8.668 1.00 0.00 O ATOM 732 CB GLN A 192 0.674 0.979 9.561 1.00 0.00 C ATOM 733 CG GLN A 192 1.216 0.468 10.897 1.00 0.00 C ATOM 734 CD GLN A 192 2.551 1.130 11.237 1.00 0.00 C ATOM 735 OE1 GLN A 192 2.687 2.343 11.250 1.00 0.00 O ATOM 736 NE2 GLN A 192 3.528 0.270 11.510 1.00 0.00 N ATOM 0 H GLN A 192 1.518 1.519 7.287 1.00 0.00 H new ATOM 0 HA GLN A 192 1.513 -0.843 8.840 1.00 0.00 H new ATOM 0 HB2 GLN A 192 1.201 1.889 9.275 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -0.379 1.240 9.668 1.00 0.00 H new ATOM 0 HG2 GLN A 192 0.494 0.671 11.688 1.00 0.00 H new ATOM 0 HG3 GLN A 192 1.344 -0.614 10.852 1.00 0.00 H new ATOM 0 HE21 GLN A 192 3.347 -0.733 11.481 1.00 0.00 H new ATOM 0 HE22 GLN A 192 4.458 0.614 11.748 1.00 0.00 H new ATOM 745 N ASN A 193 -1.256 -0.079 7.263 1.00 0.00 N ATOM 746 CA ASN A 193 -2.554 -0.589 6.861 1.00 0.00 C ATOM 747 C ASN A 193 -2.379 -1.532 5.668 1.00 0.00 C ATOM 748 O ASN A 193 -3.354 -1.898 5.012 1.00 0.00 O ATOM 749 CB ASN A 193 -3.483 0.548 6.429 1.00 0.00 C ATOM 750 CG ASN A 193 -4.951 0.153 6.600 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.306 -1.015 6.639 1.00 0.00 O ATOM 752 ND2 ASN A 193 -5.781 1.185 6.699 1.00 0.00 N ATOM 0 H ASN A 193 -0.989 0.802 6.823 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.991 -1.109 7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.272 1.439 7.020 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.291 0.803 5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -6.782 1.025 6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -5.418 2.137 6.659 1.00 0.00 H new ATOM 759 N ALA A 194 -1.130 -1.900 5.425 1.00 0.00 N ATOM 760 CA ALA A 194 -0.815 -2.794 4.323 1.00 0.00 C ATOM 761 C ALA A 194 -0.429 -4.165 4.879 1.00 0.00 C ATOM 762 O ALA A 194 0.129 -4.263 5.970 1.00 0.00 O ATOM 763 CB ALA A 194 0.297 -2.179 3.469 1.00 0.00 C ATOM 0 H ALA A 194 -0.324 -1.596 5.972 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.684 -2.931 3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.534 -2.849 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -0.036 -1.219 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.186 -2.030 4.082 1.00 0.00 H new ATOM 769 N ASN A 195 -0.744 -5.194 4.105 1.00 0.00 N ATOM 770 CA ASN A 195 -0.439 -6.556 4.506 1.00 0.00 C ATOM 771 C ASN A 195 0.964 -6.600 5.117 1.00 0.00 C ATOM 772 O ASN A 195 1.745 -5.664 4.954 1.00 0.00 O ATOM 773 CB ASN A 195 -0.464 -7.503 3.304 1.00 0.00 C ATOM 774 CG ASN A 195 -0.135 -6.756 2.011 1.00 0.00 C ATOM 775 OD1 ASN A 195 0.397 -5.658 2.016 1.00 0.00 O ATOM 776 ND2 ASN A 195 -0.480 -7.410 0.905 1.00 0.00 N ATOM 0 H ASN A 195 -1.208 -5.111 3.201 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.191 -6.873 5.228 1.00 0.00 H new ATOM 0 HB2 ASN A 195 0.255 -8.308 3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -1.448 -7.965 3.221 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -0.302 -6.995 -0.010 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -0.922 -8.327 0.972 1.00 0.00 H new ATOM 783 N PRO A 196 1.248 -7.728 5.821 1.00 0.00 N ATOM 784 CA PRO A 196 2.544 -7.908 6.455 1.00 0.00 C ATOM 785 C PRO A 196 3.618 -8.243 5.420 1.00 0.00 C ATOM 786 O PRO A 196 4.689 -7.637 5.414 1.00 0.00 O ATOM 787 CB PRO A 196 2.331 -9.016 7.474 1.00 0.00 C ATOM 788 CG PRO A 196 1.060 -9.732 7.052 1.00 0.00 C ATOM 789 CD PRO A 196 0.348 -8.857 6.033 1.00 0.00 C ATOM 0 HA PRO A 196 2.906 -7.002 6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 196 3.179 -9.701 7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 196 2.234 -8.608 8.480 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.295 -10.705 6.621 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.419 -9.912 7.915 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.166 -9.398 5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.622 -8.526 6.404 1.00 0.00 H new ATOM 797 N ASP A 197 3.296 -9.206 4.570 1.00 0.00 N ATOM 798 CA ASP A 197 4.222 -9.629 3.533 1.00 0.00 C ATOM 799 C ASP A 197 4.748 -8.398 2.791 1.00 0.00 C ATOM 800 O ASP A 197 5.947 -8.280 2.551 1.00 0.00 O ATOM 801 CB ASP A 197 3.530 -10.536 2.513 1.00 0.00 C ATOM 802 CG ASP A 197 3.935 -12.010 2.578 1.00 0.00 C ATOM 803 OD1 ASP A 197 4.145 -12.567 3.667 1.00 0.00 O ATOM 804 OD2 ASP A 197 4.035 -12.599 1.436 1.00 0.00 O ATOM 0 H ASP A 197 2.407 -9.706 4.578 1.00 0.00 H new ATOM 0 HA ASP A 197 5.035 -10.177 4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.452 -10.464 2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 197 3.743 -10.160 1.512 1.00 0.00 H new ATOM 810 N CYS A 198 3.821 -7.514 2.449 1.00 0.00 N ATOM 811 CA CYS A 198 4.176 -6.297 1.739 1.00 0.00 C ATOM 812 C CYS A 198 5.183 -5.521 2.590 1.00 0.00 C ATOM 813 O CYS A 198 6.104 -4.901 2.059 1.00 0.00 O ATOM 814 CB CYS A 198 2.942 -5.455 1.407 1.00 0.00 C ATOM 815 SG CYS A 198 3.414 -4.047 0.338 1.00 0.00 S ATOM 0 H CYS A 198 2.826 -7.617 2.650 1.00 0.00 H new ATOM 0 HA CYS A 198 4.630 -6.551 0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.196 -6.070 0.904 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.484 -5.087 2.326 1.00 0.00 H new ATOM 0 HG CYS A 198 4.671 -3.767 0.518 1.00 0.00 H new ATOM 821 N LYS A 199 4.976 -5.579 3.898 1.00 0.00 N ATOM 822 CA LYS A 199 5.855 -4.890 4.827 1.00 0.00 C ATOM 823 C LYS A 199 7.288 -5.391 4.635 1.00 0.00 C ATOM 824 O LYS A 199 8.220 -4.594 4.550 1.00 0.00 O ATOM 825 CB LYS A 199 5.339 -5.037 6.259 1.00 0.00 C ATOM 826 CG LYS A 199 5.982 -3.999 7.183 1.00 0.00 C ATOM 827 CD LYS A 199 4.930 -3.322 8.064 1.00 0.00 C ATOM 828 CE LYS A 199 4.872 -3.975 9.447 1.00 0.00 C ATOM 829 NZ LYS A 199 3.469 -4.238 9.839 1.00 0.00 N ATOM 0 H LYS A 199 4.212 -6.093 4.336 1.00 0.00 H new ATOM 0 HA LYS A 199 5.862 -3.819 4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 199 4.255 -4.920 6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.556 -6.040 6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.732 -4.481 7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.500 -3.248 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 199 5.164 -2.262 8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 199 3.953 -3.387 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 199 5.434 -4.909 9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 199 5.345 -3.325 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 3.449 -4.681 10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 2.943 -3.342 9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 3.029 -4.876 9.146 1.00 0.00 H new ATOM 843 N THR A 200 7.417 -6.708 4.572 1.00 0.00 N ATOM 844 CA THR A 200 8.719 -7.324 4.391 1.00 0.00 C ATOM 845 C THR A 200 9.332 -6.896 3.056 1.00 0.00 C ATOM 846 O THR A 200 10.523 -6.600 2.980 1.00 0.00 O ATOM 847 CB THR A 200 8.549 -8.839 4.523 1.00 0.00 C ATOM 848 OG1 THR A 200 8.028 -9.017 5.838 1.00 0.00 O ATOM 849 CG2 THR A 200 9.887 -9.579 4.549 1.00 0.00 C ATOM 0 H THR A 200 6.640 -7.365 4.643 1.00 0.00 H new ATOM 0 HA THR A 200 9.421 -6.993 5.156 1.00 0.00 H new ATOM 0 HB THR A 200 7.946 -9.209 3.694 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.886 -9.972 6.007 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.709 -10.650 4.644 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.430 -9.382 3.624 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.478 -9.233 5.397 1.00 0.00 H new ATOM 857 N ILE A 201 8.489 -6.875 2.034 1.00 0.00 N ATOM 858 CA ILE A 201 8.931 -6.488 0.706 1.00 0.00 C ATOM 859 C ILE A 201 9.381 -5.026 0.729 1.00 0.00 C ATOM 860 O ILE A 201 10.395 -4.675 0.129 1.00 0.00 O ATOM 861 CB ILE A 201 7.842 -6.781 -0.329 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.104 -8.078 0.004 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.421 -6.798 -1.745 1.00 0.00 C ATOM 864 CD1 ILE A 201 6.951 -8.957 -1.240 1.00 0.00 C ATOM 0 H ILE A 201 7.501 -7.120 2.100 1.00 0.00 H new ATOM 0 HA ILE A 201 9.793 -7.083 0.403 1.00 0.00 H new ATOM 0 HB ILE A 201 7.109 -5.975 -0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.649 -8.623 0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.121 -7.846 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.626 -7.008 -2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.863 -5.827 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.187 -7.571 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.423 -9.873 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.384 -8.418 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 201 7.937 -9.207 -1.632 1.00 0.00 H new ATOM 876 N LEU A 202 8.603 -4.212 1.427 1.00 0.00 N ATOM 877 CA LEU A 202 8.907 -2.796 1.536 1.00 0.00 C ATOM 878 C LEU A 202 10.166 -2.613 2.385 1.00 0.00 C ATOM 879 O LEU A 202 10.873 -1.615 2.248 1.00 0.00 O ATOM 880 CB LEU A 202 7.695 -2.026 2.062 1.00 0.00 C ATOM 881 CG LEU A 202 7.936 -0.557 2.421 1.00 0.00 C ATOM 882 CD1 LEU A 202 7.643 0.354 1.228 1.00 0.00 C ATOM 883 CD2 LEU A 202 7.132 -0.157 3.660 1.00 0.00 C ATOM 0 H LEU A 202 7.762 -4.507 1.923 1.00 0.00 H new ATOM 0 HA LEU A 202 9.120 -2.376 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.907 -2.071 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.320 -2.539 2.948 1.00 0.00 H new ATOM 0 HG LEU A 202 8.990 -0.434 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 202 7.822 1.392 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 202 8.295 0.086 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 202 6.603 0.235 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 202 7.321 0.891 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.069 -0.299 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 202 7.433 -0.777 4.505 1.00 0.00 H new ATOM 895 N LYS A 203 10.412 -3.593 3.242 1.00 0.00 N ATOM 896 CA LYS A 203 11.575 -3.554 4.112 1.00 0.00 C ATOM 897 C LYS A 203 12.838 -3.779 3.280 1.00 0.00 C ATOM 898 O LYS A 203 13.813 -3.040 3.412 1.00 0.00 O ATOM 899 CB LYS A 203 11.413 -4.545 5.266 1.00 0.00 C ATOM 900 CG LYS A 203 10.780 -3.873 6.485 1.00 0.00 C ATOM 901 CD LYS A 203 10.237 -4.914 7.466 1.00 0.00 C ATOM 902 CE LYS A 203 10.011 -4.298 8.848 1.00 0.00 C ATOM 903 NZ LYS A 203 11.208 -4.477 9.698 1.00 0.00 N ATOM 0 H LYS A 203 9.825 -4.420 3.352 1.00 0.00 H new ATOM 0 HA LYS A 203 11.671 -2.572 4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.793 -5.382 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 203 12.386 -4.954 5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 203 11.520 -3.248 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.972 -3.215 6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 203 9.300 -5.322 7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.937 -5.745 7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 203 9.785 -3.236 8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 203 9.148 -4.764 9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 11.037 -4.053 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 11.406 -5.492 9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 12.024 -4.012 9.251 1.00 0.00 H new ATOM 917 N ALA A 204 12.780 -4.801 2.438 1.00 0.00 N ATOM 918 CA ALA A 204 13.906 -5.131 1.584 1.00 0.00 C ATOM 919 C ALA A 204 13.977 -4.131 0.428 1.00 0.00 C ATOM 920 O ALA A 204 15.019 -3.984 -0.208 1.00 0.00 O ATOM 921 CB ALA A 204 13.773 -6.577 1.097 1.00 0.00 C ATOM 0 H ALA A 204 11.970 -5.411 2.330 1.00 0.00 H new ATOM 0 HA ALA A 204 14.841 -5.059 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.619 -6.824 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.759 -7.250 1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.846 -6.687 0.534 1.00 0.00 H new ATOM 927 N LEU A 205 12.854 -3.470 0.193 1.00 0.00 N ATOM 928 CA LEU A 205 12.774 -2.487 -0.875 1.00 0.00 C ATOM 929 C LEU A 205 13.282 -1.139 -0.360 1.00 0.00 C ATOM 930 O LEU A 205 14.371 -0.701 -0.728 1.00 0.00 O ATOM 931 CB LEU A 205 11.357 -2.432 -1.448 1.00 0.00 C ATOM 932 CG LEU A 205 10.948 -1.110 -2.103 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.109 -1.358 -3.358 1.00 0.00 C ATOM 934 CD2 LEU A 205 10.231 -0.201 -1.103 1.00 0.00 C ATOM 0 H LEU A 205 11.992 -3.595 0.723 1.00 0.00 H new ATOM 0 HA LEU A 205 13.418 -2.774 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 205 11.254 -3.227 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.653 -2.650 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 205 11.853 -0.590 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.831 -0.403 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 205 10.690 -1.939 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.208 -1.909 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.951 0.731 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.335 -0.700 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.895 0.015 -0.266 1.00 0.00 H new ATOM 946 N GLY A 206 12.470 -0.519 0.482 1.00 0.00 N ATOM 947 CA GLY A 206 12.824 0.770 1.051 1.00 0.00 C ATOM 948 C GLY A 206 11.724 1.277 1.987 1.00 0.00 C ATOM 949 O GLY A 206 10.547 1.269 1.629 1.00 0.00 O ATOM 0 H GLY A 206 11.567 -0.885 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 206 13.762 0.684 1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 206 12.987 1.492 0.251 1.00 0.00 H new ATOM 953 N PRO A 207 12.158 1.717 3.200 1.00 0.00 N ATOM 954 CA PRO A 207 11.224 2.225 4.189 1.00 0.00 C ATOM 955 C PRO A 207 10.739 3.627 3.814 1.00 0.00 C ATOM 956 O PRO A 207 10.880 4.567 4.597 1.00 0.00 O ATOM 957 CB PRO A 207 11.988 2.192 5.504 1.00 0.00 C ATOM 958 CG PRO A 207 13.457 2.108 5.129 1.00 0.00 C ATOM 959 CD PRO A 207 13.544 1.741 3.657 1.00 0.00 C ATOM 0 HA PRO A 207 10.315 1.627 4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 207 11.786 3.085 6.096 1.00 0.00 H new ATOM 0 HB3 PRO A 207 11.689 1.335 6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 207 13.953 3.061 5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 207 13.964 1.361 5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.132 2.471 3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.024 0.772 3.518 1.00 0.00 H new ATOM 967 N GLY A 208 10.177 3.726 2.619 1.00 0.00 N ATOM 968 CA GLY A 208 9.671 4.997 2.132 1.00 0.00 C ATOM 969 C GLY A 208 10.052 5.215 0.666 1.00 0.00 C ATOM 970 O GLY A 208 10.476 6.305 0.285 1.00 0.00 O ATOM 0 H GLY A 208 10.061 2.945 1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 208 8.586 5.025 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 208 10.071 5.808 2.740 1.00 0.00 H new ATOM 974 N ALA A 209 9.887 4.158 -0.118 1.00 0.00 N ATOM 975 CA ALA A 209 10.208 4.220 -1.533 1.00 0.00 C ATOM 976 C ALA A 209 9.057 4.887 -2.286 1.00 0.00 C ATOM 977 O ALA A 209 7.982 5.095 -1.724 1.00 0.00 O ATOM 978 CB ALA A 209 10.505 2.811 -2.051 1.00 0.00 C ATOM 0 H ALA A 209 9.535 3.255 0.201 1.00 0.00 H new ATOM 0 HA ALA A 209 11.101 4.823 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 209 10.746 2.857 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 209 11.351 2.393 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.630 2.178 -1.905 1.00 0.00 H new ATOM 984 N THR A 210 9.319 5.204 -3.545 1.00 0.00 N ATOM 985 CA THR A 210 8.317 5.845 -4.380 1.00 0.00 C ATOM 986 C THR A 210 7.077 4.955 -4.500 1.00 0.00 C ATOM 987 O THR A 210 7.147 3.752 -4.262 1.00 0.00 O ATOM 988 CB THR A 210 8.962 6.172 -5.728 1.00 0.00 C ATOM 989 OG1 THR A 210 9.197 7.576 -5.666 1.00 0.00 O ATOM 990 CG2 THR A 210 7.991 6.007 -6.898 1.00 0.00 C ATOM 0 H THR A 210 10.211 5.029 -4.008 1.00 0.00 H new ATOM 0 HA THR A 210 7.970 6.778 -3.936 1.00 0.00 H new ATOM 0 HB THR A 210 9.827 5.528 -5.883 1.00 0.00 H new ATOM 0 HG1 THR A 210 9.616 7.875 -6.500 1.00 0.00 H new ATOM 0 HG21 THR A 210 8.500 6.252 -7.830 1.00 0.00 H new ATOM 0 HG22 THR A 210 7.639 4.976 -6.936 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.141 6.676 -6.762 1.00 0.00 H new ATOM 998 N LEU A 211 5.972 5.585 -4.870 1.00 0.00 N ATOM 999 CA LEU A 211 4.718 4.866 -5.025 1.00 0.00 C ATOM 1000 C LEU A 211 4.933 3.671 -5.957 1.00 0.00 C ATOM 1001 O LEU A 211 4.548 2.549 -5.630 1.00 0.00 O ATOM 1002 CB LEU A 211 3.609 5.815 -5.488 1.00 0.00 C ATOM 1003 CG LEU A 211 2.648 6.303 -4.401 1.00 0.00 C ATOM 1004 CD1 LEU A 211 2.835 7.797 -4.136 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.201 5.960 -4.757 1.00 0.00 C ATOM 0 H LEU A 211 5.918 6.584 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 211 4.386 4.468 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 211 4.073 6.685 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.027 5.313 -6.261 1.00 0.00 H new ATOM 0 HG LEU A 211 2.884 5.780 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 211 2.141 8.119 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 211 3.858 7.983 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.640 8.356 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.538 6.317 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.935 6.438 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.097 4.880 -4.856 1.00 0.00 H new ATOM 1017 N GLU A 212 5.545 3.951 -7.096 1.00 0.00 N ATOM 1018 CA GLU A 212 5.815 2.915 -8.077 1.00 0.00 C ATOM 1019 C GLU A 212 6.684 1.816 -7.461 1.00 0.00 C ATOM 1020 O GLU A 212 6.570 0.649 -7.831 1.00 0.00 O ATOM 1021 CB GLU A 212 6.475 3.500 -9.328 1.00 0.00 C ATOM 1022 CG GLU A 212 6.347 2.542 -10.514 1.00 0.00 C ATOM 1023 CD GLU A 212 6.066 3.307 -11.809 1.00 0.00 C ATOM 1024 OE1 GLU A 212 4.910 3.369 -12.254 1.00 0.00 O ATOM 1025 OE2 GLU A 212 7.100 3.852 -12.355 1.00 0.00 O ATOM 0 H GLU A 212 5.863 4.883 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 212 4.866 2.474 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.011 4.455 -9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.528 3.699 -9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 212 7.265 1.965 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.543 1.830 -10.326 1.00 0.00 H new ATOM 1033 N GLU A 213 7.534 2.229 -6.531 1.00 0.00 N ATOM 1034 CA GLU A 213 8.421 1.294 -5.861 1.00 0.00 C ATOM 1035 C GLU A 213 7.617 0.343 -4.973 1.00 0.00 C ATOM 1036 O GLU A 213 7.849 -0.865 -4.980 1.00 0.00 O ATOM 1037 CB GLU A 213 9.485 2.035 -5.049 1.00 0.00 C ATOM 1038 CG GLU A 213 10.700 1.143 -4.795 1.00 0.00 C ATOM 1039 CD GLU A 213 11.977 1.790 -5.333 1.00 0.00 C ATOM 1040 OE1 GLU A 213 12.229 2.976 -5.073 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.725 1.015 -6.044 1.00 0.00 O ATOM 0 H GLU A 213 7.627 3.198 -6.226 1.00 0.00 H new ATOM 0 HA GLU A 213 8.935 0.703 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.794 2.934 -5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.062 2.359 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.804 0.960 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.550 0.174 -5.272 1.00 0.00 H new ATOM 1049 N MET A 214 6.687 0.923 -4.228 1.00 0.00 N ATOM 1050 CA MET A 214 5.848 0.141 -3.335 1.00 0.00 C ATOM 1051 C MET A 214 4.979 -0.842 -4.122 1.00 0.00 C ATOM 1052 O MET A 214 4.844 -2.003 -3.737 1.00 0.00 O ATOM 1053 CB MET A 214 4.953 1.080 -2.524 1.00 0.00 C ATOM 1054 CG MET A 214 5.789 2.035 -1.672 1.00 0.00 C ATOM 1055 SD MET A 214 4.821 2.636 -0.298 1.00 0.00 S ATOM 1056 CE MET A 214 3.651 3.664 -1.169 1.00 0.00 C ATOM 0 H MET A 214 6.496 1.925 -4.224 1.00 0.00 H new ATOM 0 HA MET A 214 6.492 -0.429 -2.665 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.315 1.652 -3.198 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.295 0.495 -1.881 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.678 1.523 -1.304 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.131 2.872 -2.280 1.00 0.00 H new ATOM 0 HE1 MET A 214 3.107 4.282 -0.455 1.00 0.00 H new ATOM 0 HE2 MET A 214 4.183 4.305 -1.872 1.00 0.00 H new ATOM 0 HE3 MET A 214 2.947 3.034 -1.713 1.00 0.00 H new ATOM 1066 N MET A 215 4.410 -0.341 -5.209 1.00 0.00 N ATOM 1067 CA MET A 215 3.556 -1.159 -6.053 1.00 0.00 C ATOM 1068 C MET A 215 4.369 -2.238 -6.773 1.00 0.00 C ATOM 1069 O MET A 215 3.862 -3.324 -7.046 1.00 0.00 O ATOM 1070 CB MET A 215 2.856 -0.273 -7.085 1.00 0.00 C ATOM 1071 CG MET A 215 1.612 -0.964 -7.646 1.00 0.00 C ATOM 1072 SD MET A 215 1.623 -0.888 -9.429 1.00 0.00 S ATOM 1073 CE MET A 215 2.920 -2.062 -9.782 1.00 0.00 C ATOM 0 H MET A 215 4.524 0.622 -5.525 1.00 0.00 H new ATOM 0 HA MET A 215 2.815 -1.649 -5.421 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.574 0.674 -6.625 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.545 -0.041 -7.897 1.00 0.00 H new ATOM 0 HG2 MET A 215 1.584 -2.003 -7.318 1.00 0.00 H new ATOM 0 HG3 MET A 215 0.713 -0.484 -7.259 1.00 0.00 H new ATOM 0 HE1 MET A 215 2.929 -2.285 -10.849 1.00 0.00 H new ATOM 0 HE2 MET A 215 3.882 -1.640 -9.492 1.00 0.00 H new ATOM 0 HE3 MET A 215 2.743 -2.980 -9.221 1.00 0.00 H new ATOM 1083 N THR A 216 5.618 -1.899 -7.059 1.00 0.00 N ATOM 1084 CA THR A 216 6.507 -2.825 -7.742 1.00 0.00 C ATOM 1085 C THR A 216 6.840 -4.011 -6.835 1.00 0.00 C ATOM 1086 O THR A 216 6.889 -5.152 -7.294 1.00 0.00 O ATOM 1087 CB THR A 216 7.741 -2.044 -8.200 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.499 -1.792 -9.581 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.009 -2.898 -8.193 1.00 0.00 C ATOM 0 H THR A 216 6.035 -0.997 -6.831 1.00 0.00 H new ATOM 0 HA THR A 216 6.031 -3.254 -8.623 1.00 0.00 H new ATOM 0 HB THR A 216 7.883 -1.178 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.250 -1.288 -9.958 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.855 -2.296 -8.526 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.198 -3.261 -7.183 1.00 0.00 H new ATOM 0 HG23 THR A 216 8.880 -3.746 -8.865 1.00 0.00 H new ATOM 1097 N ALA A 217 7.059 -3.701 -5.566 1.00 0.00 N ATOM 1098 CA ALA A 217 7.388 -4.728 -4.592 1.00 0.00 C ATOM 1099 C ALA A 217 6.152 -5.591 -4.332 1.00 0.00 C ATOM 1100 O ALA A 217 6.258 -6.808 -4.189 1.00 0.00 O ATOM 1101 CB ALA A 217 7.918 -4.070 -3.316 1.00 0.00 C ATOM 0 H ALA A 217 7.015 -2.754 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 217 8.173 -5.381 -4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.165 -4.840 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.812 -3.491 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.155 -3.409 -2.904 1.00 0.00 H new ATOM 1107 N CYS A 218 5.006 -4.927 -4.277 1.00 0.00 N ATOM 1108 CA CYS A 218 3.751 -5.618 -4.037 1.00 0.00 C ATOM 1109 C CYS A 218 3.509 -6.591 -5.193 1.00 0.00 C ATOM 1110 O CYS A 218 3.112 -7.734 -4.973 1.00 0.00 O ATOM 1111 CB CYS A 218 2.589 -4.638 -3.864 1.00 0.00 C ATOM 1112 SG CYS A 218 1.164 -5.486 -3.091 1.00 0.00 S ATOM 0 H CYS A 218 4.921 -3.917 -4.395 1.00 0.00 H new ATOM 0 HA CYS A 218 3.813 -6.174 -3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.901 -3.797 -3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.299 -4.231 -4.833 1.00 0.00 H new ATOM 0 HG CYS A 218 1.183 -6.746 -3.411 1.00 0.00 H new ATOM 1118 N GLN A 219 3.759 -6.102 -6.397 1.00 0.00 N ATOM 1119 CA GLN A 219 3.574 -6.914 -7.589 1.00 0.00 C ATOM 1120 C GLN A 219 4.498 -8.133 -7.549 1.00 0.00 C ATOM 1121 O GLN A 219 4.208 -9.156 -8.167 1.00 0.00 O ATOM 1122 CB GLN A 219 3.807 -6.090 -8.856 1.00 0.00 C ATOM 1123 CG GLN A 219 2.599 -6.168 -9.792 1.00 0.00 C ATOM 1124 CD GLN A 219 2.988 -5.786 -11.222 1.00 0.00 C ATOM 1125 OE1 GLN A 219 4.098 -6.018 -11.673 1.00 0.00 O ATOM 1126 NE2 GLN A 219 2.014 -5.192 -11.905 1.00 0.00 N ATOM 0 H GLN A 219 4.088 -5.153 -6.574 1.00 0.00 H new ATOM 0 HA GLN A 219 2.542 -7.265 -7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 219 3.997 -5.051 -8.588 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.695 -6.454 -9.372 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.190 -7.178 -9.780 1.00 0.00 H new ATOM 0 HG3 GLN A 219 1.814 -5.502 -9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 219 1.108 -5.029 -11.465 1.00 0.00 H new ATOM 0 HE22 GLN A 219 2.172 -4.899 -12.869 1.00 0.00 H new ATOM 1135 N GLY A 220 5.591 -7.983 -6.816 1.00 0.00 N ATOM 1136 CA GLY A 220 6.559 -9.058 -6.687 1.00 0.00 C ATOM 1137 C GLY A 220 6.070 -10.123 -5.704 1.00 0.00 C ATOM 1138 O GLY A 220 6.459 -11.286 -5.798 1.00 0.00 O ATOM 0 H GLY A 220 5.828 -7.133 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.735 -9.512 -7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.512 -8.654 -6.346 1.00 0.00 H new ATOM 1142 N VAL A 221 5.220 -9.688 -4.785 1.00 0.00 N ATOM 1143 CA VAL A 221 4.672 -10.590 -3.785 1.00 0.00 C ATOM 1144 C VAL A 221 4.162 -11.858 -4.473 1.00 0.00 C ATOM 1145 O VAL A 221 3.740 -11.814 -5.627 1.00 0.00 O ATOM 1146 CB VAL A 221 3.592 -9.875 -2.972 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.234 -9.954 -3.674 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.508 -10.440 -1.553 1.00 0.00 C ATOM 0 H VAL A 221 4.897 -8.723 -4.712 1.00 0.00 H new ATOM 0 HA VAL A 221 5.445 -10.892 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 221 3.871 -8.824 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.484 -9.438 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.303 -9.482 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.947 -10.999 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.732 -9.914 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.265 -11.502 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.467 -10.308 -1.051 1.00 0.00 H new