USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=15 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= -4.26! C(o=-7.7!,f=-13!) USER MOD Set 1.2: A 218 CYS SG : rot 174:sc= -3.41! USER MOD Single : A 149 SER OG : rot 153:sc= -0.374 USER MOD Single : A 164 TYR OH : rot -155:sc= -1.92! USER MOD Single : A 169 TYR OH : rot 180:sc= -0.882 USER MOD Single : A 170 LYS NZ :NH3+ 164:sc= 0.203 (180deg=0.112) USER MOD Single : A 171 THR OG1 : rot -120:sc= -1.54! 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= -0.0382 X(o=-0.038,f=-0.23) USER MOD Single : A 193 ASN : amide:sc= -7.4! C(o=-7.4!,f=-8.5!) USER MOD Single : A 195 ASN :FLIP amide:sc= -4.43! C(o=-5.2!,f=-4.4!) USER MOD Single : A 198 CYS SG : rot 180:sc= -2.73 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 -143:sc= -7.72! (180deg=-11.5!) USER MOD Single : A 215 MET CE :methyl -142:sc=-0.000143 (180deg=-0.956) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.531 5.015 7.058 1.00 0.00 N ATOM 16 CA SER A 149 -12.249 5.377 7.638 1.00 0.00 C ATOM 17 C SER A 149 -11.111 4.809 6.787 1.00 0.00 C ATOM 18 O SER A 149 -11.352 4.063 5.839 1.00 0.00 O ATOM 19 CB SER A 149 -12.136 4.875 9.078 1.00 0.00 C ATOM 20 OG SER A 149 -11.101 5.542 9.796 1.00 0.00 O ATOM 0 HA SER A 149 -12.175 6.464 7.654 1.00 0.00 H new ATOM 0 HB2 SER A 149 -13.087 5.025 9.590 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.941 3.803 9.074 1.00 0.00 H new ATOM 0 HG SER A 149 -11.314 5.542 10.753 1.00 0.00 H new ATOM 26 N ILE A 150 -9.896 5.182 7.157 1.00 0.00 N ATOM 27 CA ILE A 150 -8.719 4.720 6.439 1.00 0.00 C ATOM 28 C ILE A 150 -8.419 3.275 6.841 1.00 0.00 C ATOM 29 O ILE A 150 -7.660 2.584 6.164 1.00 0.00 O ATOM 30 CB ILE A 150 -7.547 5.678 6.660 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.989 7.134 6.503 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.375 5.331 5.738 1.00 0.00 C ATOM 33 CD1 ILE A 150 -8.141 7.504 5.026 1.00 0.00 C ATOM 0 H ILE A 150 -9.700 5.799 7.945 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.901 4.721 5.364 1.00 0.00 H new ATOM 0 HB ILE A 150 -7.197 5.559 7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.936 7.288 7.020 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.259 7.792 6.973 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.555 6.027 5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -6.039 4.314 5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.695 5.404 4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.456 8.544 4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -7.186 7.372 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.890 6.860 4.565 1.00 0.00 H new ATOM 45 N LEU A 151 -9.030 2.860 7.940 1.00 0.00 N ATOM 46 CA LEU A 151 -8.837 1.510 8.440 1.00 0.00 C ATOM 47 C LEU A 151 -9.461 0.514 7.461 1.00 0.00 C ATOM 48 O LEU A 151 -8.992 -0.616 7.335 1.00 0.00 O ATOM 49 CB LEU A 151 -9.371 1.386 9.869 1.00 0.00 C ATOM 50 CG LEU A 151 -10.892 1.450 10.023 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.476 0.063 10.297 1.00 0.00 C ATOM 52 CD2 LEU A 151 -11.290 2.463 11.099 1.00 0.00 C ATOM 0 H LEU A 151 -9.660 3.436 8.499 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.774 1.274 8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -9.023 0.441 10.285 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.931 2.181 10.471 1.00 0.00 H new ATOM 0 HG LEU A 151 -11.317 1.796 9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.558 0.138 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -11.237 -0.603 9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -11.049 -0.336 11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -12.376 2.490 11.189 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.853 2.170 12.054 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.924 3.452 10.821 1.00 0.00 H new ATOM 64 N ASP A 152 -10.510 0.969 6.792 1.00 0.00 N ATOM 65 CA ASP A 152 -11.203 0.132 5.827 1.00 0.00 C ATOM 66 C ASP A 152 -10.338 -0.022 4.576 1.00 0.00 C ATOM 67 O ASP A 152 -10.660 -0.807 3.686 1.00 0.00 O ATOM 68 CB ASP A 152 -12.533 0.762 5.408 1.00 0.00 C ATOM 69 CG ASP A 152 -13.280 0.016 4.300 1.00 0.00 C ATOM 70 OD1 ASP A 152 -14.179 -0.794 4.569 1.00 0.00 O ATOM 71 OD2 ASP A 152 -12.901 0.301 3.099 1.00 0.00 O ATOM 0 H ASP A 152 -10.897 1.907 6.899 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.392 -0.835 6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -13.180 0.825 6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.346 1.783 5.076 1.00 0.00 H new ATOM 77 N ILE A 153 -9.254 0.741 4.547 1.00 0.00 N ATOM 78 CA ILE A 153 -8.338 0.699 3.420 1.00 0.00 C ATOM 79 C ILE A 153 -7.203 -0.278 3.727 1.00 0.00 C ATOM 80 O ILE A 153 -6.232 0.081 4.392 1.00 0.00 O ATOM 81 CB ILE A 153 -7.858 2.109 3.067 1.00 0.00 C ATOM 82 CG1 ILE A 153 -9.015 2.970 2.558 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.699 2.059 2.071 1.00 0.00 C ATOM 84 CD1 ILE A 153 -9.990 3.304 3.689 1.00 0.00 C ATOM 0 H ILE A 153 -8.990 1.392 5.287 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.846 0.328 2.530 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.482 2.580 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.624 3.891 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.542 2.443 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.377 3.074 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.868 1.506 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.025 1.562 1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.803 3.917 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.397 2.381 4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.465 3.852 4.472 1.00 0.00 H new ATOM 96 N ARG A 154 -7.362 -1.495 3.227 1.00 0.00 N ATOM 97 CA ARG A 154 -6.360 -2.527 3.440 1.00 0.00 C ATOM 98 C ARG A 154 -5.929 -3.131 2.101 1.00 0.00 C ATOM 99 O ARG A 154 -6.620 -2.978 1.094 1.00 0.00 O ATOM 100 CB ARG A 154 -6.898 -3.639 4.342 1.00 0.00 C ATOM 101 CG ARG A 154 -5.853 -4.059 5.377 1.00 0.00 C ATOM 102 CD ARG A 154 -6.277 -5.343 6.096 1.00 0.00 C ATOM 103 NE ARG A 154 -6.760 -5.023 7.457 1.00 0.00 N ATOM 104 CZ ARG A 154 -8.035 -4.684 7.747 1.00 0.00 C ATOM 105 NH1 ARG A 154 -8.966 -4.615 6.772 1.00 0.00 N ATOM 106 NH2 ARG A 154 -8.356 -4.419 9.000 1.00 0.00 N ATOM 0 H ARG A 154 -8.168 -1.790 2.676 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.503 -2.062 3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.800 -3.296 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.181 -4.499 3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -4.892 -4.213 4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.715 -3.259 6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.063 -5.844 5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -5.435 -6.033 6.153 1.00 0.00 H new ATOM 0 HE ARG A 154 -6.089 -5.061 8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -8.709 -4.820 5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -9.926 -4.358 7.001 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -7.646 -4.472 9.730 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -9.314 -4.161 9.237 1.00 0.00 H new ATOM 120 N GLN A 155 -4.788 -3.805 2.134 1.00 0.00 N ATOM 121 CA GLN A 155 -4.256 -4.431 0.935 1.00 0.00 C ATOM 122 C GLN A 155 -4.684 -5.900 0.870 1.00 0.00 C ATOM 123 O GLN A 155 -4.076 -6.756 1.511 1.00 0.00 O ATOM 124 CB GLN A 155 -2.732 -4.302 0.880 1.00 0.00 C ATOM 125 CG GLN A 155 -2.163 -5.043 -0.333 1.00 0.00 C ATOM 126 CD GLN A 155 -0.719 -5.482 -0.078 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.022 -4.948 0.769 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.313 -6.481 -0.857 1.00 0.00 N ATOM 0 H GLN A 155 -4.218 -3.931 2.971 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.664 -3.914 0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.454 -3.249 0.831 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -2.296 -4.705 1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.779 -5.915 -0.553 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.201 -4.396 -1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -0.950 -6.882 -1.546 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.635 -6.846 -0.765 1.00 0.00 H new ATOM 196 N PRO A 160 -5.691 -5.761 -6.088 1.00 0.00 N ATOM 197 CA PRO A 160 -4.431 -5.182 -6.522 1.00 0.00 C ATOM 198 C PRO A 160 -4.016 -4.026 -5.609 1.00 0.00 C ATOM 199 O PRO A 160 -4.856 -3.430 -4.935 1.00 0.00 O ATOM 200 CB PRO A 160 -4.673 -4.746 -7.958 1.00 0.00 C ATOM 201 CG PRO A 160 -6.184 -4.673 -8.123 1.00 0.00 C ATOM 202 CD PRO A 160 -6.816 -5.386 -6.938 1.00 0.00 C ATOM 0 HA PRO A 160 -3.602 -5.888 -6.468 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.211 -3.779 -8.155 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.237 -5.456 -8.661 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.514 -3.635 -8.165 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.489 -5.142 -9.058 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.512 -4.735 -6.409 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.380 -6.262 -7.258 1.00 0.00 H new ATOM 210 N PHE A 161 -2.722 -3.744 -5.616 1.00 0.00 N ATOM 211 CA PHE A 161 -2.184 -2.671 -4.797 1.00 0.00 C ATOM 212 C PHE A 161 -2.696 -1.310 -5.273 1.00 0.00 C ATOM 213 O PHE A 161 -2.853 -0.388 -4.474 1.00 0.00 O ATOM 214 CB PHE A 161 -0.662 -2.711 -4.948 1.00 0.00 C ATOM 215 CG PHE A 161 0.076 -1.682 -4.089 1.00 0.00 C ATOM 216 CD1 PHE A 161 -0.013 -1.739 -2.733 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.820 -0.711 -4.683 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.672 -0.783 -1.937 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.505 0.244 -3.886 1.00 0.00 C ATOM 220 CZ PHE A 161 1.416 0.188 -2.529 1.00 0.00 C ATOM 0 H PHE A 161 -2.029 -4.240 -6.176 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.493 -2.804 -3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.307 -3.708 -4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.407 -2.546 -5.995 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.604 -2.511 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.890 -0.666 -5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.602 -0.828 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.097 1.015 -4.357 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.936 0.915 -1.923 1.00 0.00 H new ATOM 230 N ARG A 162 -2.942 -1.227 -6.573 1.00 0.00 N ATOM 231 CA ARG A 162 -3.432 0.006 -7.165 1.00 0.00 C ATOM 232 C ARG A 162 -4.801 0.364 -6.586 1.00 0.00 C ATOM 233 O ARG A 162 -5.047 1.515 -6.228 1.00 0.00 O ATOM 234 CB ARG A 162 -3.546 -0.120 -8.685 1.00 0.00 C ATOM 235 CG ARG A 162 -3.097 1.169 -9.377 1.00 0.00 C ATOM 236 CD ARG A 162 -2.966 0.962 -10.888 1.00 0.00 C ATOM 237 NE ARG A 162 -3.788 1.960 -11.607 1.00 0.00 N ATOM 238 CZ ARG A 162 -3.410 3.238 -11.823 1.00 0.00 C ATOM 239 NH1 ARG A 162 -2.218 3.685 -11.374 1.00 0.00 N ATOM 240 NH2 ARG A 162 -4.224 4.044 -12.478 1.00 0.00 N ATOM 0 H ARG A 162 -2.811 -1.994 -7.233 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.717 0.794 -6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.936 -0.954 -9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.577 -0.344 -8.959 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.816 1.964 -9.176 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.141 1.493 -8.966 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -1.922 1.055 -11.187 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.286 -0.045 -11.155 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.697 1.664 -11.962 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -1.595 3.056 -10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -1.940 4.652 -11.541 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -5.124 3.699 -12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -3.954 5.012 -12.650 1.00 0.00 H new ATOM 254 N ASP A 163 -5.660 -0.643 -6.511 1.00 0.00 N ATOM 255 CA ASP A 163 -7.000 -0.448 -5.982 1.00 0.00 C ATOM 256 C ASP A 163 -6.909 -0.093 -4.496 1.00 0.00 C ATOM 257 O ASP A 163 -7.708 0.696 -3.993 1.00 0.00 O ATOM 258 CB ASP A 163 -7.834 -1.724 -6.114 1.00 0.00 C ATOM 259 CG ASP A 163 -8.575 -1.877 -7.443 1.00 0.00 C ATOM 260 OD1 ASP A 163 -8.243 -1.218 -8.440 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.545 -2.727 -7.431 1.00 0.00 O ATOM 0 H ASP A 163 -5.454 -1.597 -6.808 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.475 0.353 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.178 -2.584 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.563 -1.749 -5.304 1.00 0.00 H new ATOM 267 N TYR A 164 -5.931 -0.694 -3.836 1.00 0.00 N ATOM 268 CA TYR A 164 -5.725 -0.451 -2.418 1.00 0.00 C ATOM 269 C TYR A 164 -5.292 0.994 -2.166 1.00 0.00 C ATOM 270 O TYR A 164 -5.776 1.639 -1.237 1.00 0.00 O ATOM 271 CB TYR A 164 -4.597 -1.391 -1.988 1.00 0.00 C ATOM 272 CG TYR A 164 -4.057 -1.113 -0.584 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.932 -0.952 0.473 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.696 -1.023 -0.373 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.423 -0.690 1.794 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.188 -0.761 0.949 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.077 -0.608 1.967 1.00 0.00 C ATOM 278 OH TYR A 164 -2.596 -0.361 3.215 1.00 0.00 O ATOM 0 H TYR A 164 -5.272 -1.349 -4.257 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.647 -0.622 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.958 -2.419 -2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.779 -1.311 -2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.997 -1.023 0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -2.012 -1.149 -1.199 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.096 -0.561 2.629 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.125 -0.688 1.128 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.712 0.057 3.148 1.00 0.00 H new ATOM 288 N VAL A 165 -4.385 1.463 -3.011 1.00 0.00 N ATOM 289 CA VAL A 165 -3.881 2.820 -2.892 1.00 0.00 C ATOM 290 C VAL A 165 -5.017 3.808 -3.163 1.00 0.00 C ATOM 291 O VAL A 165 -5.162 4.803 -2.457 1.00 0.00 O ATOM 292 CB VAL A 165 -2.683 3.018 -3.823 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.511 4.492 -4.190 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.404 2.454 -3.199 1.00 0.00 C ATOM 0 H VAL A 165 -3.986 0.926 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.523 3.006 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.879 2.466 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.653 4.604 -4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.409 4.848 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.349 5.076 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.568 2.608 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.203 2.965 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.529 1.387 -3.013 1.00 0.00 H new ATOM 304 N ASP A 166 -5.796 3.497 -4.190 1.00 0.00 N ATOM 305 CA ASP A 166 -6.915 4.345 -4.564 1.00 0.00 C ATOM 306 C ASP A 166 -7.859 4.491 -3.369 1.00 0.00 C ATOM 307 O ASP A 166 -8.333 5.588 -3.077 1.00 0.00 O ATOM 308 CB ASP A 166 -7.708 3.732 -5.720 1.00 0.00 C ATOM 309 CG ASP A 166 -8.600 4.712 -6.484 1.00 0.00 C ATOM 310 OD1 ASP A 166 -8.589 5.924 -6.221 1.00 0.00 O ATOM 311 OD2 ASP A 166 -9.340 4.179 -7.397 1.00 0.00 O ATOM 0 H ASP A 166 -5.674 2.670 -4.774 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.518 5.312 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -7.007 3.279 -6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.330 2.928 -5.328 1.00 0.00 H new ATOM 317 N ARG A 167 -8.107 3.368 -2.709 1.00 0.00 N ATOM 318 CA ARG A 167 -8.986 3.357 -1.553 1.00 0.00 C ATOM 319 C ARG A 167 -8.396 4.211 -0.429 1.00 0.00 C ATOM 320 O ARG A 167 -9.113 4.970 0.221 1.00 0.00 O ATOM 321 CB ARG A 167 -9.205 1.932 -1.041 1.00 0.00 C ATOM 322 CG ARG A 167 -10.683 1.679 -0.741 1.00 0.00 C ATOM 323 CD ARG A 167 -11.086 0.256 -1.136 1.00 0.00 C ATOM 324 NE ARG A 167 -12.543 0.196 -1.397 1.00 0.00 N ATOM 325 CZ ARG A 167 -13.152 0.820 -2.426 1.00 0.00 C ATOM 326 NH1 ARG A 167 -12.436 1.557 -3.302 1.00 0.00 N ATOM 327 NH2 ARG A 167 -14.459 0.698 -2.565 1.00 0.00 N ATOM 0 H ARG A 167 -7.714 2.459 -2.954 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.946 3.771 -1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.853 1.217 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.614 1.771 -0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.874 1.834 0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.296 2.399 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.536 -0.053 -2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -10.822 -0.440 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 167 -13.121 -0.351 -0.759 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -11.426 1.645 -3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -12.905 2.025 -4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -14.993 0.138 -1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -14.935 1.163 -3.338 1.00 0.00 H new ATOM 341 N PHE A 168 -7.093 4.058 -0.235 1.00 0.00 N ATOM 342 CA PHE A 168 -6.399 4.806 0.798 1.00 0.00 C ATOM 343 C PHE A 168 -6.536 6.313 0.572 1.00 0.00 C ATOM 344 O PHE A 168 -6.849 7.058 1.499 1.00 0.00 O ATOM 345 CB PHE A 168 -4.919 4.421 0.712 1.00 0.00 C ATOM 346 CG PHE A 168 -4.057 5.007 1.832 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.539 6.257 1.708 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.809 4.277 2.952 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.738 6.801 2.747 1.00 0.00 C ATOM 350 CE2 PHE A 168 -3.009 4.819 3.992 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.490 6.071 3.867 1.00 0.00 C ATOM 0 H PHE A 168 -6.501 3.427 -0.776 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.824 4.573 1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.835 3.334 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.523 4.752 -0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.737 6.837 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.221 3.284 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.326 7.794 2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.812 4.239 4.881 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.881 6.485 4.657 1.00 0.00 H new ATOM 361 N TYR A 169 -6.293 6.717 -0.666 1.00 0.00 N ATOM 362 CA TYR A 169 -6.385 8.122 -1.027 1.00 0.00 C ATOM 363 C TYR A 169 -7.845 8.559 -1.161 1.00 0.00 C ATOM 364 O TYR A 169 -8.147 9.750 -1.115 1.00 0.00 O ATOM 365 CB TYR A 169 -5.698 8.253 -2.388 1.00 0.00 C ATOM 366 CG TYR A 169 -4.170 8.276 -2.313 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.498 7.290 -1.618 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.463 9.281 -2.942 1.00 0.00 C ATOM 369 CE1 TYR A 169 -2.060 7.312 -1.549 1.00 0.00 C ATOM 370 CE2 TYR A 169 -2.025 9.302 -2.872 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.395 8.316 -2.180 1.00 0.00 C ATOM 372 OH TYR A 169 -0.036 8.336 -2.114 1.00 0.00 O ATOM 0 H TYR A 169 -6.032 6.096 -1.432 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.922 8.746 -0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -6.008 7.422 -3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -6.042 9.168 -2.871 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -4.051 6.503 -1.127 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.988 10.052 -3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.522 6.548 -1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.460 10.083 -3.358 1.00 0.00 H new ATOM 0 HH TYR A 169 0.304 9.109 -2.611 1.00 0.00 H new ATOM 382 N LYS A 170 -8.712 7.570 -1.325 1.00 0.00 N ATOM 383 CA LYS A 170 -10.133 7.838 -1.467 1.00 0.00 C ATOM 384 C LYS A 170 -10.699 8.295 -0.120 1.00 0.00 C ATOM 385 O LYS A 170 -11.439 9.276 -0.054 1.00 0.00 O ATOM 386 CB LYS A 170 -10.852 6.621 -2.053 1.00 0.00 C ATOM 387 CG LYS A 170 -11.203 6.848 -3.525 1.00 0.00 C ATOM 388 CD LYS A 170 -11.818 5.591 -4.143 1.00 0.00 C ATOM 389 CE LYS A 170 -12.375 5.882 -5.537 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.331 4.664 -6.377 1.00 0.00 N ATOM 0 H LYS A 170 -8.458 6.583 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 170 -10.298 8.650 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.218 5.739 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.761 6.423 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.902 7.679 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -10.306 7.127 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -11.064 4.806 -4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -12.615 5.218 -3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -13.402 6.239 -5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -11.796 6.677 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -12.945 4.792 -7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -11.354 4.495 -6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -12.663 3.848 -5.823 1.00 0.00 H new ATOM 404 N THR A 171 -10.329 7.563 0.920 1.00 0.00 N ATOM 405 CA THR A 171 -10.789 7.881 2.261 1.00 0.00 C ATOM 406 C THR A 171 -10.032 9.091 2.812 1.00 0.00 C ATOM 407 O THR A 171 -10.618 9.942 3.479 1.00 0.00 O ATOM 408 CB THR A 171 -10.638 6.626 3.123 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.678 5.765 2.668 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.982 6.880 4.592 1.00 0.00 C ATOM 0 H THR A 171 -9.716 6.750 0.861 1.00 0.00 H new ATOM 0 HA THR A 171 -11.841 8.168 2.260 1.00 0.00 H new ATOM 0 HB THR A 171 -9.616 6.255 3.048 1.00 0.00 H new ATOM 0 HG1 THR A 171 -12.281 5.559 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.858 5.958 5.159 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.318 7.645 4.994 1.00 0.00 H new ATOM 0 HG23 THR A 171 -12.015 7.219 4.670 1.00 0.00 H new ATOM 418 N LEU A 172 -8.743 9.129 2.511 1.00 0.00 N ATOM 419 CA LEU A 172 -7.900 10.221 2.968 1.00 0.00 C ATOM 420 C LEU A 172 -8.484 11.548 2.482 1.00 0.00 C ATOM 421 O LEU A 172 -8.568 12.511 3.243 1.00 0.00 O ATOM 422 CB LEU A 172 -6.449 9.994 2.539 1.00 0.00 C ATOM 423 CG LEU A 172 -5.960 10.832 1.356 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.948 12.322 1.708 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.594 10.347 0.867 1.00 0.00 C ATOM 0 H LEU A 172 -8.261 8.421 1.956 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.884 10.259 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.803 10.196 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.326 8.940 2.288 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.661 10.701 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.597 12.896 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.956 12.642 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -5.282 12.491 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.270 10.960 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.868 10.428 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.669 9.307 0.550 1.00 0.00 H new ATOM 437 N ARG A 173 -8.874 11.558 1.216 1.00 0.00 N ATOM 438 CA ARG A 173 -9.448 12.752 0.618 1.00 0.00 C ATOM 439 C ARG A 173 -10.950 12.818 0.900 1.00 0.00 C ATOM 440 O ARG A 173 -11.658 13.641 0.326 1.00 0.00 O ATOM 441 CB ARG A 173 -9.219 12.777 -0.895 1.00 0.00 C ATOM 442 CG ARG A 173 -8.480 14.047 -1.317 1.00 0.00 C ATOM 443 CD ARG A 173 -8.872 14.462 -2.738 1.00 0.00 C ATOM 444 NE ARG A 173 -7.656 14.669 -3.557 1.00 0.00 N ATOM 445 CZ ARG A 173 -6.827 13.676 -3.944 1.00 0.00 C ATOM 446 NH1 ARG A 173 -7.074 12.398 -3.589 1.00 0.00 N ATOM 447 NH2 ARG A 173 -5.769 13.976 -4.675 1.00 0.00 N ATOM 0 H ARG A 173 -8.804 10.758 0.587 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.953 13.615 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -8.643 11.901 -1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.177 12.721 -1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.710 14.854 -0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.404 13.880 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -9.499 13.694 -3.190 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -9.462 15.378 -2.709 1.00 0.00 H new ATOM 0 HE ARG A 173 -7.431 15.621 -3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -7.893 12.175 -3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -6.442 11.655 -3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -5.589 14.945 -4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -5.132 13.239 -4.976 1.00 0.00 H new ATOM 461 N ALA A 174 -11.392 11.937 1.788 1.00 0.00 N ATOM 462 CA ALA A 174 -12.797 11.884 2.155 1.00 0.00 C ATOM 463 C ALA A 174 -12.988 12.543 3.521 1.00 0.00 C ATOM 464 O ALA A 174 -14.109 12.872 3.904 1.00 0.00 O ATOM 465 CB ALA A 174 -13.274 10.431 2.136 1.00 0.00 C ATOM 0 H ALA A 174 -10.801 11.255 2.263 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.403 12.436 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.328 10.390 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.144 10.018 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.690 9.847 2.848 1.00 0.00 H new ATOM 630 N THR A 186 1.456 9.275 5.061 1.00 0.00 N ATOM 631 CA THR A 186 0.579 8.503 4.199 1.00 0.00 C ATOM 632 C THR A 186 1.210 7.148 3.870 1.00 0.00 C ATOM 633 O THR A 186 0.731 6.109 4.324 1.00 0.00 O ATOM 634 CB THR A 186 0.272 9.346 2.959 1.00 0.00 C ATOM 635 OG1 THR A 186 -1.023 9.885 3.217 1.00 0.00 O ATOM 636 CG2 THR A 186 0.077 8.493 1.704 1.00 0.00 C ATOM 0 HA THR A 186 -0.363 8.275 4.697 1.00 0.00 H new ATOM 0 HB THR A 186 1.083 10.055 2.793 1.00 0.00 H new ATOM 0 HG1 THR A 186 -1.300 10.447 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.138 9.140 0.854 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.985 7.924 1.506 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.755 7.806 1.857 1.00 0.00 H new ATOM 644 N GLU A 187 2.276 7.202 3.084 1.00 0.00 N ATOM 645 CA GLU A 187 2.978 5.994 2.691 1.00 0.00 C ATOM 646 C GLU A 187 3.177 5.078 3.900 1.00 0.00 C ATOM 647 O GLU A 187 3.157 3.856 3.767 1.00 0.00 O ATOM 648 CB GLU A 187 4.317 6.328 2.027 1.00 0.00 C ATOM 649 CG GLU A 187 5.093 5.053 1.690 1.00 0.00 C ATOM 650 CD GLU A 187 5.071 4.780 0.185 1.00 0.00 C ATOM 651 OE1 GLU A 187 6.136 4.707 -0.447 1.00 0.00 O ATOM 652 OE2 GLU A 187 3.896 4.640 -0.327 1.00 0.00 O ATOM 0 H GLU A 187 2.670 8.065 2.709 1.00 0.00 H new ATOM 0 HA GLU A 187 2.369 5.466 1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.143 6.903 1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.911 6.955 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 187 6.124 5.150 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 187 4.659 4.207 2.223 1.00 0.00 H new ATOM 660 N THR A 188 3.368 5.706 5.051 1.00 0.00 N ATOM 661 CA THR A 188 3.573 4.962 6.284 1.00 0.00 C ATOM 662 C THR A 188 2.277 4.267 6.708 1.00 0.00 C ATOM 663 O THR A 188 2.302 3.128 7.172 1.00 0.00 O ATOM 664 CB THR A 188 4.116 5.932 7.334 1.00 0.00 C ATOM 665 OG1 THR A 188 5.273 5.275 7.846 1.00 0.00 O ATOM 666 CG2 THR A 188 3.192 6.057 8.548 1.00 0.00 C ATOM 0 H THR A 188 3.385 6.720 5.157 1.00 0.00 H new ATOM 0 HA THR A 188 4.303 4.164 6.150 1.00 0.00 H new ATOM 0 HB THR A 188 4.259 6.914 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.690 5.835 8.533 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.624 6.757 9.263 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.216 6.422 8.227 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.077 5.081 9.020 1.00 0.00 H new ATOM 674 N LEU A 189 1.175 4.984 6.535 1.00 0.00 N ATOM 675 CA LEU A 189 -0.128 4.450 6.895 1.00 0.00 C ATOM 676 C LEU A 189 -0.501 3.330 5.923 1.00 0.00 C ATOM 677 O LEU A 189 -0.941 2.261 6.341 1.00 0.00 O ATOM 678 CB LEU A 189 -1.165 5.572 6.967 1.00 0.00 C ATOM 679 CG LEU A 189 -1.574 6.018 8.371 1.00 0.00 C ATOM 680 CD1 LEU A 189 -0.348 6.198 9.269 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.435 7.282 8.317 1.00 0.00 C ATOM 0 H LEU A 189 1.158 5.929 6.151 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.098 4.011 7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.773 6.437 6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.060 5.248 6.435 1.00 0.00 H new ATOM 0 HG LEU A 189 -2.185 5.231 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -0.667 6.515 10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 189 0.189 5.252 9.346 1.00 0.00 H new ATOM 0 HD13 LEU A 189 0.309 6.955 8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.712 7.577 9.329 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -1.871 8.087 7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -3.337 7.084 7.738 1.00 0.00 H new ATOM 693 N LEU A 190 -0.312 3.612 4.642 1.00 0.00 N ATOM 694 CA LEU A 190 -0.624 2.641 3.606 1.00 0.00 C ATOM 695 C LEU A 190 0.164 1.357 3.866 1.00 0.00 C ATOM 696 O LEU A 190 -0.382 0.258 3.765 1.00 0.00 O ATOM 697 CB LEU A 190 -0.385 3.242 2.220 1.00 0.00 C ATOM 698 CG LEU A 190 -0.601 2.298 1.034 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.947 2.565 0.359 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.563 2.385 0.046 1.00 0.00 C ATOM 0 H LEU A 190 0.054 4.500 4.298 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.681 2.377 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.044 4.102 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.638 3.617 2.179 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.628 1.276 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -2.075 1.881 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.751 2.412 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.975 3.593 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.385 1.705 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.646 3.405 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.489 2.107 0.549 1.00 0.00 H new ATOM 712 N VAL A 191 1.435 1.535 4.194 1.00 0.00 N ATOM 713 CA VAL A 191 2.304 0.403 4.468 1.00 0.00 C ATOM 714 C VAL A 191 1.835 -0.296 5.745 1.00 0.00 C ATOM 715 O VAL A 191 1.720 -1.520 5.780 1.00 0.00 O ATOM 716 CB VAL A 191 3.760 0.868 4.540 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.651 -0.216 5.152 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.273 1.283 3.159 1.00 0.00 C ATOM 0 H VAL A 191 1.884 2.447 4.276 1.00 0.00 H new ATOM 0 HA VAL A 191 2.249 -0.326 3.660 1.00 0.00 H new ATOM 0 HB VAL A 191 3.801 1.743 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.681 0.139 5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.306 -0.444 6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.601 -1.116 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.310 1.609 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.211 0.434 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.664 2.101 2.775 1.00 0.00 H new ATOM 728 N GLN A 192 1.578 0.511 6.763 1.00 0.00 N ATOM 729 CA GLN A 192 1.125 -0.015 8.040 1.00 0.00 C ATOM 730 C GLN A 192 -0.239 -0.689 7.883 1.00 0.00 C ATOM 731 O GLN A 192 -0.504 -1.717 8.505 1.00 0.00 O ATOM 732 CB GLN A 192 1.073 1.086 9.100 1.00 0.00 C ATOM 733 CG GLN A 192 2.271 0.995 10.046 1.00 0.00 C ATOM 734 CD GLN A 192 1.865 1.334 11.482 1.00 0.00 C ATOM 735 OE1 GLN A 192 0.907 0.807 12.024 1.00 0.00 O ATOM 736 NE2 GLN A 192 2.643 2.242 12.065 1.00 0.00 N ATOM 0 H GLN A 192 1.675 1.526 6.730 1.00 0.00 H new ATOM 0 HA GLN A 192 1.842 -0.764 8.376 1.00 0.00 H new ATOM 0 HB2 GLN A 192 1.062 2.062 8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.148 1.003 9.670 1.00 0.00 H new ATOM 0 HG2 GLN A 192 2.691 -0.010 10.011 1.00 0.00 H new ATOM 0 HG3 GLN A 192 3.053 1.678 9.715 1.00 0.00 H new ATOM 0 HE21 GLN A 192 3.429 2.644 11.554 1.00 0.00 H new ATOM 0 HE22 GLN A 192 2.453 2.537 13.023 1.00 0.00 H new ATOM 745 N ASN A 193 -1.070 -0.083 7.046 1.00 0.00 N ATOM 746 CA ASN A 193 -2.399 -0.612 6.798 1.00 0.00 C ATOM 747 C ASN A 193 -2.356 -1.546 5.588 1.00 0.00 C ATOM 748 O ASN A 193 -3.391 -1.859 5.003 1.00 0.00 O ATOM 749 CB ASN A 193 -3.391 0.513 6.493 1.00 0.00 C ATOM 750 CG ASN A 193 -4.834 0.009 6.574 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.107 -1.178 6.536 1.00 0.00 O ATOM 752 ND2 ASN A 193 -5.739 0.977 6.692 1.00 0.00 N ATOM 0 H ASN A 193 -0.847 0.769 6.532 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.721 -1.145 7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.247 1.331 7.199 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.197 0.914 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -6.730 0.744 6.757 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -5.442 1.952 6.718 1.00 0.00 H new ATOM 759 N ALA A 194 -1.146 -1.964 5.247 1.00 0.00 N ATOM 760 CA ALA A 194 -0.953 -2.855 4.115 1.00 0.00 C ATOM 761 C ALA A 194 -0.745 -4.283 4.627 1.00 0.00 C ATOM 762 O ALA A 194 -0.731 -4.518 5.834 1.00 0.00 O ATOM 763 CB ALA A 194 0.225 -2.363 3.272 1.00 0.00 C ATOM 0 H ALA A 194 -0.289 -1.702 5.735 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.835 -2.857 3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.369 -3.032 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.018 -1.356 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.128 -2.350 3.882 1.00 0.00 H new ATOM 769 N ASN A 195 -0.591 -5.199 3.682 1.00 0.00 N ATOM 770 CA ASN A 195 -0.384 -6.597 4.021 1.00 0.00 C ATOM 771 C ASN A 195 0.905 -6.735 4.834 1.00 0.00 C ATOM 772 O ASN A 195 1.680 -5.787 4.940 1.00 0.00 O ATOM 773 CB ASN A 195 -0.246 -7.453 2.762 1.00 0.00 C ATOM 774 CG ASN A 195 -1.330 -8.532 2.710 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.553 -8.081 2.978 1.00 0.00 O flip ATOM 776 ND2 ASN A 195 -1.074 -9.695 2.446 1.00 0.00 N flip ATOM 0 H ASN A 195 -0.605 -5.000 2.682 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.246 -6.937 4.594 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.316 -6.819 1.878 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.738 -7.920 2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -0.113 -9.974 2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -1.821 -10.389 2.421 1.00 0.00 H new ATOM 783 N PRO A 196 1.099 -7.956 5.400 1.00 0.00 N ATOM 784 CA PRO A 196 2.281 -8.232 6.197 1.00 0.00 C ATOM 785 C PRO A 196 3.514 -8.410 5.308 1.00 0.00 C ATOM 786 O PRO A 196 4.530 -7.747 5.512 1.00 0.00 O ATOM 787 CB PRO A 196 1.937 -9.481 6.991 1.00 0.00 C ATOM 788 CG PRO A 196 0.763 -10.124 6.270 1.00 0.00 C ATOM 789 CD PRO A 196 0.202 -9.104 5.294 1.00 0.00 C ATOM 0 HA PRO A 196 2.539 -7.410 6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.787 -10.161 7.036 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.674 -9.230 8.019 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.084 -11.022 5.742 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -0.002 -10.431 6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.182 -9.498 4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.822 -8.832 5.551 1.00 0.00 H new ATOM 797 N ASP A 197 3.385 -9.307 4.344 1.00 0.00 N ATOM 798 CA ASP A 197 4.475 -9.579 3.422 1.00 0.00 C ATOM 799 C ASP A 197 4.983 -8.260 2.836 1.00 0.00 C ATOM 800 O ASP A 197 6.190 -8.034 2.764 1.00 0.00 O ATOM 801 CB ASP A 197 4.010 -10.464 2.264 1.00 0.00 C ATOM 802 CG ASP A 197 4.544 -11.897 2.291 1.00 0.00 C ATOM 803 OD1 ASP A 197 5.251 -12.299 3.228 1.00 0.00 O ATOM 804 OD2 ASP A 197 4.203 -12.626 1.282 1.00 0.00 O ATOM 0 H ASP A 197 2.541 -9.856 4.180 1.00 0.00 H new ATOM 0 HA ASP A 197 5.263 -10.092 3.973 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.921 -10.498 2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.311 -9.997 1.326 1.00 0.00 H new ATOM 810 N CYS A 198 4.037 -7.425 2.434 1.00 0.00 N ATOM 811 CA CYS A 198 4.374 -6.135 1.857 1.00 0.00 C ATOM 812 C CYS A 198 5.278 -5.389 2.840 1.00 0.00 C ATOM 813 O CYS A 198 6.192 -4.676 2.431 1.00 0.00 O ATOM 814 CB CYS A 198 3.122 -5.327 1.508 1.00 0.00 C ATOM 815 SG CYS A 198 3.589 -3.813 0.593 1.00 0.00 S ATOM 0 H CYS A 198 3.037 -7.616 2.496 1.00 0.00 H new ATOM 0 HA CYS A 198 4.906 -6.283 0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.445 -5.932 0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.586 -5.061 2.419 1.00 0.00 H new ATOM 0 HG CYS A 198 2.519 -3.136 0.300 1.00 0.00 H new ATOM 821 N LYS A 199 4.993 -5.581 4.120 1.00 0.00 N ATOM 822 CA LYS A 199 5.768 -4.935 5.165 1.00 0.00 C ATOM 823 C LYS A 199 7.240 -5.326 5.016 1.00 0.00 C ATOM 824 O LYS A 199 8.120 -4.469 5.064 1.00 0.00 O ATOM 825 CB LYS A 199 5.184 -5.256 6.542 1.00 0.00 C ATOM 826 CG LYS A 199 5.707 -4.283 7.600 1.00 0.00 C ATOM 827 CD LYS A 199 4.554 -3.648 8.379 1.00 0.00 C ATOM 828 CE LYS A 199 4.351 -4.348 9.725 1.00 0.00 C ATOM 829 NZ LYS A 199 2.986 -4.096 10.238 1.00 0.00 N ATOM 0 H LYS A 199 4.235 -6.175 4.457 1.00 0.00 H new ATOM 0 HA LYS A 199 5.712 -3.851 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 199 4.096 -5.203 6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.443 -6.277 6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.369 -4.809 8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.300 -3.504 7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 199 4.760 -2.590 8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 199 3.637 -3.707 7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 199 4.512 -5.420 9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 199 5.088 -3.989 10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 2.864 -4.578 11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 2.846 -3.073 10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 2.287 -4.460 9.559 1.00 0.00 H new ATOM 843 N THR A 200 7.461 -6.620 4.837 1.00 0.00 N ATOM 844 CA THR A 200 8.811 -7.134 4.681 1.00 0.00 C ATOM 845 C THR A 200 9.463 -6.547 3.428 1.00 0.00 C ATOM 846 O THR A 200 10.633 -6.171 3.451 1.00 0.00 O ATOM 847 CB THR A 200 8.737 -8.662 4.668 1.00 0.00 C ATOM 848 OG1 THR A 200 8.243 -8.996 5.965 1.00 0.00 O ATOM 849 CG2 THR A 200 10.119 -9.315 4.616 1.00 0.00 C ATOM 0 H THR A 200 6.728 -7.328 4.797 1.00 0.00 H new ATOM 0 HA THR A 200 9.448 -6.832 5.513 1.00 0.00 H new ATOM 0 HB THR A 200 8.149 -8.990 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.162 -9.969 6.044 1.00 0.00 H new ATOM 0 HG21 THR A 200 10.009 -10.399 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.638 -8.997 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.696 -9.015 5.490 1.00 0.00 H new ATOM 857 N ILE A 201 8.677 -6.489 2.362 1.00 0.00 N ATOM 858 CA ILE A 201 9.163 -5.954 1.101 1.00 0.00 C ATOM 859 C ILE A 201 9.505 -4.474 1.278 1.00 0.00 C ATOM 860 O ILE A 201 10.449 -3.976 0.667 1.00 0.00 O ATOM 861 CB ILE A 201 8.154 -6.223 -0.018 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.460 -7.572 0.181 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.820 -6.118 -1.392 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.210 -8.263 -1.161 1.00 0.00 C ATOM 0 H ILE A 201 7.707 -6.804 2.346 1.00 0.00 H new ATOM 0 HA ILE A 201 10.081 -6.459 0.800 1.00 0.00 H new ATOM 0 HB ILE A 201 7.382 -5.455 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 201 8.075 -8.211 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.513 -7.425 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 201 8.082 -6.313 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 201 9.228 -5.116 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.625 -6.850 -1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.716 -9.220 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.575 -7.632 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.161 -8.431 -1.667 1.00 0.00 H new ATOM 876 N LEU A 202 8.720 -3.814 2.117 1.00 0.00 N ATOM 877 CA LEU A 202 8.929 -2.401 2.381 1.00 0.00 C ATOM 878 C LEU A 202 10.210 -2.224 3.200 1.00 0.00 C ATOM 879 O LEU A 202 10.926 -1.237 3.033 1.00 0.00 O ATOM 880 CB LEU A 202 7.689 -1.789 3.038 1.00 0.00 C ATOM 881 CG LEU A 202 6.806 -0.930 2.133 1.00 0.00 C ATOM 882 CD1 LEU A 202 7.652 0.009 1.272 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.876 -1.801 1.287 1.00 0.00 C ATOM 0 H LEU A 202 7.939 -4.232 2.622 1.00 0.00 H new ATOM 0 HA LEU A 202 9.069 -1.855 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 202 7.081 -2.597 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 202 8.013 -1.179 3.881 1.00 0.00 H new ATOM 0 HG LEU A 202 6.175 -0.306 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 202 6.999 0.608 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 202 8.236 0.667 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 202 8.325 -0.578 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.259 -1.165 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.470 -2.469 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 202 5.235 -2.391 1.942 1.00 0.00 H new ATOM 895 N LYS A 203 10.459 -3.194 4.067 1.00 0.00 N ATOM 896 CA LYS A 203 11.642 -3.157 4.911 1.00 0.00 C ATOM 897 C LYS A 203 12.891 -3.300 4.040 1.00 0.00 C ATOM 898 O LYS A 203 13.903 -2.646 4.289 1.00 0.00 O ATOM 899 CB LYS A 203 11.541 -4.208 6.018 1.00 0.00 C ATOM 900 CG LYS A 203 11.316 -3.549 7.381 1.00 0.00 C ATOM 901 CD LYS A 203 11.310 -4.592 8.500 1.00 0.00 C ATOM 902 CE LYS A 203 9.901 -4.782 9.065 1.00 0.00 C ATOM 903 NZ LYS A 203 9.720 -6.169 9.550 1.00 0.00 N ATOM 0 H LYS A 203 9.863 -4.010 4.204 1.00 0.00 H new ATOM 0 HA LYS A 203 11.717 -2.196 5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.721 -4.892 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 203 12.454 -4.803 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 203 12.100 -2.815 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 203 10.369 -3.010 7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 203 11.684 -5.542 8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 203 11.986 -4.280 9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 203 9.732 -4.080 9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 203 9.161 -4.560 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 8.759 -6.281 9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 9.860 -6.833 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 10.414 -6.368 10.299 1.00 0.00 H new ATOM 917 N ALA A 204 12.778 -4.156 3.035 1.00 0.00 N ATOM 918 CA ALA A 204 13.886 -4.392 2.125 1.00 0.00 C ATOM 919 C ALA A 204 13.963 -3.247 1.114 1.00 0.00 C ATOM 920 O ALA A 204 15.024 -2.978 0.555 1.00 0.00 O ATOM 921 CB ALA A 204 13.711 -5.755 1.450 1.00 0.00 C ATOM 0 H ALA A 204 11.936 -4.695 2.831 1.00 0.00 H new ATOM 0 HA ALA A 204 14.830 -4.416 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.542 -5.932 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.692 -6.537 2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.774 -5.767 0.892 1.00 0.00 H new ATOM 927 N LEU A 205 12.823 -2.602 0.910 1.00 0.00 N ATOM 928 CA LEU A 205 12.748 -1.492 -0.024 1.00 0.00 C ATOM 929 C LEU A 205 13.531 -0.304 0.538 1.00 0.00 C ATOM 930 O LEU A 205 14.697 -0.107 0.198 1.00 0.00 O ATOM 931 CB LEU A 205 11.290 -1.166 -0.353 1.00 0.00 C ATOM 932 CG LEU A 205 10.891 -1.284 -1.825 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.303 -2.665 -2.126 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.941 -0.155 -2.228 1.00 0.00 C ATOM 0 H LEU A 205 11.944 -2.827 1.376 1.00 0.00 H new ATOM 0 HA LEU A 205 13.213 -1.761 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.650 -1.828 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 205 11.082 -0.149 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 205 11.790 -1.179 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 205 10.028 -2.722 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.044 -3.433 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.418 -2.826 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.673 -0.263 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.040 -0.202 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.432 0.806 -2.075 1.00 0.00 H new ATOM 946 N GLY A 206 12.861 0.457 1.391 1.00 0.00 N ATOM 947 CA GLY A 206 13.479 1.619 2.004 1.00 0.00 C ATOM 948 C GLY A 206 12.454 2.431 2.799 1.00 0.00 C ATOM 949 O GLY A 206 11.280 2.484 2.434 1.00 0.00 O ATOM 0 H GLY A 206 11.895 0.291 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.286 1.300 2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.926 2.247 1.233 1.00 0.00 H new ATOM 953 N PRO A 207 12.947 3.060 3.899 1.00 0.00 N ATOM 954 CA PRO A 207 12.088 3.867 4.748 1.00 0.00 C ATOM 955 C PRO A 207 11.763 5.206 4.084 1.00 0.00 C ATOM 956 O PRO A 207 12.039 6.266 4.648 1.00 0.00 O ATOM 957 CB PRO A 207 12.854 4.021 6.052 1.00 0.00 C ATOM 958 CG PRO A 207 14.302 3.692 5.725 1.00 0.00 C ATOM 959 CD PRO A 207 14.332 3.021 4.362 1.00 0.00 C ATOM 0 HA PRO A 207 11.117 3.404 4.925 1.00 0.00 H new ATOM 0 HB2 PRO A 207 12.762 5.035 6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.464 3.349 6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 207 14.907 4.599 5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 207 14.724 3.033 6.484 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.994 3.549 3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.697 1.996 4.433 1.00 0.00 H new ATOM 967 N GLY A 208 11.182 5.118 2.897 1.00 0.00 N ATOM 968 CA GLY A 208 10.816 6.310 2.152 1.00 0.00 C ATOM 969 C GLY A 208 10.862 6.050 0.644 1.00 0.00 C ATOM 970 O GLY A 208 11.381 6.865 -0.115 1.00 0.00 O ATOM 0 H GLY A 208 10.955 4.239 2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.814 6.629 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.495 7.124 2.405 1.00 0.00 H new ATOM 974 N ALA A 209 10.311 4.909 0.256 1.00 0.00 N ATOM 975 CA ALA A 209 10.283 4.531 -1.146 1.00 0.00 C ATOM 976 C ALA A 209 9.133 5.261 -1.844 1.00 0.00 C ATOM 977 O ALA A 209 8.243 5.796 -1.186 1.00 0.00 O ATOM 978 CB ALA A 209 10.162 3.010 -1.262 1.00 0.00 C ATOM 0 H ALA A 209 9.881 4.234 0.888 1.00 0.00 H new ATOM 0 HA ALA A 209 11.209 4.824 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 209 10.141 2.726 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 209 11.016 2.539 -0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.242 2.680 -0.779 1.00 0.00 H new ATOM 984 N THR A 210 9.189 5.259 -3.168 1.00 0.00 N ATOM 985 CA THR A 210 8.164 5.913 -3.961 1.00 0.00 C ATOM 986 C THR A 210 7.015 4.948 -4.251 1.00 0.00 C ATOM 987 O THR A 210 7.230 3.743 -4.382 1.00 0.00 O ATOM 988 CB THR A 210 8.826 6.467 -5.225 1.00 0.00 C ATOM 989 OG1 THR A 210 7.813 7.271 -5.825 1.00 0.00 O ATOM 990 CG2 THR A 210 9.104 5.381 -6.265 1.00 0.00 C ATOM 0 H THR A 210 9.929 4.814 -3.711 1.00 0.00 H new ATOM 0 HA THR A 210 7.717 6.746 -3.418 1.00 0.00 H new ATOM 0 HB THR A 210 9.760 6.961 -4.958 1.00 0.00 H new ATOM 0 HG1 THR A 210 8.159 7.670 -6.651 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.574 5.828 -7.141 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.770 4.631 -5.839 1.00 0.00 H new ATOM 0 HG23 THR A 210 8.166 4.909 -6.557 1.00 0.00 H new ATOM 998 N LEU A 211 5.819 5.509 -4.345 1.00 0.00 N ATOM 999 CA LEU A 211 4.635 4.713 -4.617 1.00 0.00 C ATOM 1000 C LEU A 211 4.953 3.692 -5.711 1.00 0.00 C ATOM 1001 O LEU A 211 4.437 2.576 -5.693 1.00 0.00 O ATOM 1002 CB LEU A 211 3.445 5.616 -4.946 1.00 0.00 C ATOM 1003 CG LEU A 211 2.460 5.871 -3.804 1.00 0.00 C ATOM 1004 CD1 LEU A 211 2.711 7.236 -3.158 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.016 5.720 -4.282 1.00 0.00 C ATOM 0 H LEU A 211 5.644 6.508 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 211 4.342 4.151 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.828 6.577 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 211 2.898 5.174 -5.779 1.00 0.00 H new ATOM 0 HG LEU A 211 2.625 5.116 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 211 1.997 7.392 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 211 3.725 7.269 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.590 8.020 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.336 5.906 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.820 6.437 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 211 0.861 4.709 -4.658 1.00 0.00 H new ATOM 1017 N GLU A 212 5.803 4.112 -6.637 1.00 0.00 N ATOM 1018 CA GLU A 212 6.197 3.248 -7.737 1.00 0.00 C ATOM 1019 C GLU A 212 6.937 2.018 -7.208 1.00 0.00 C ATOM 1020 O GLU A 212 6.654 0.894 -7.618 1.00 0.00 O ATOM 1021 CB GLU A 212 7.053 4.007 -8.752 1.00 0.00 C ATOM 1022 CG GLU A 212 6.661 3.640 -10.186 1.00 0.00 C ATOM 1023 CD GLU A 212 6.622 4.881 -11.079 1.00 0.00 C ATOM 1024 OE1 GLU A 212 5.568 5.200 -11.650 1.00 0.00 O ATOM 1025 OE2 GLU A 212 7.737 5.524 -11.169 1.00 0.00 O ATOM 0 H GLU A 212 6.229 5.039 -6.648 1.00 0.00 H new ATOM 0 HA GLU A 212 5.295 2.913 -8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.934 5.080 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 212 8.106 3.777 -8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 212 7.374 2.920 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.684 3.156 -10.187 1.00 0.00 H new ATOM 1033 N GLU A 213 7.871 2.273 -6.305 1.00 0.00 N ATOM 1034 CA GLU A 213 8.655 1.201 -5.714 1.00 0.00 C ATOM 1035 C GLU A 213 7.767 0.312 -4.842 1.00 0.00 C ATOM 1036 O GLU A 213 7.923 -0.908 -4.831 1.00 0.00 O ATOM 1037 CB GLU A 213 9.831 1.759 -4.910 1.00 0.00 C ATOM 1038 CG GLU A 213 10.988 0.759 -4.862 1.00 0.00 C ATOM 1039 CD GLU A 213 11.697 0.676 -6.216 1.00 0.00 C ATOM 1040 OE1 GLU A 213 11.113 0.182 -7.192 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.898 1.149 -6.231 1.00 0.00 O ATOM 0 H GLU A 213 8.103 3.207 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 213 9.066 0.592 -6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.171 2.693 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.505 1.992 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.700 1.057 -4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.612 -0.225 -4.584 1.00 0.00 H new ATOM 1049 N MET A 214 6.853 0.959 -4.132 1.00 0.00 N ATOM 1050 CA MET A 214 5.940 0.243 -3.258 1.00 0.00 C ATOM 1051 C MET A 214 5.027 -0.686 -4.063 1.00 0.00 C ATOM 1052 O MET A 214 4.767 -1.815 -3.651 1.00 0.00 O ATOM 1053 CB MET A 214 5.088 1.245 -2.478 1.00 0.00 C ATOM 1054 CG MET A 214 5.540 1.331 -1.020 1.00 0.00 C ATOM 1055 SD MET A 214 4.166 1.794 0.021 1.00 0.00 S ATOM 1056 CE MET A 214 3.342 0.217 0.167 1.00 0.00 C ATOM 0 H MET A 214 6.726 1.971 -4.145 1.00 0.00 H new ATOM 0 HA MET A 214 6.527 -0.363 -2.568 1.00 0.00 H new ATOM 0 HB2 MET A 214 5.159 2.228 -2.943 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.040 0.948 -2.521 1.00 0.00 H new ATOM 0 HG2 MET A 214 5.942 0.370 -0.699 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.343 2.062 -0.922 1.00 0.00 H new ATOM 0 HE1 MET A 214 2.263 0.369 0.169 1.00 0.00 H new ATOM 0 HE2 MET A 214 3.618 -0.417 -0.676 1.00 0.00 H new ATOM 0 HE3 MET A 214 3.642 -0.265 1.097 1.00 0.00 H new ATOM 1066 N MET A 215 4.566 -0.176 -5.194 1.00 0.00 N ATOM 1067 CA MET A 215 3.688 -0.944 -6.060 1.00 0.00 C ATOM 1068 C MET A 215 4.455 -2.069 -6.758 1.00 0.00 C ATOM 1069 O MET A 215 3.906 -3.145 -6.995 1.00 0.00 O ATOM 1070 CB MET A 215 3.067 -0.020 -7.110 1.00 0.00 C ATOM 1071 CG MET A 215 2.155 -0.802 -8.057 1.00 0.00 C ATOM 1072 SD MET A 215 0.926 0.287 -8.758 1.00 0.00 S ATOM 1073 CE MET A 215 0.232 -0.789 -10.001 1.00 0.00 C ATOM 0 H MET A 215 4.784 0.761 -5.532 1.00 0.00 H new ATOM 0 HA MET A 215 2.904 -1.389 -5.448 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.496 0.766 -6.616 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.856 0.470 -7.681 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.746 -1.256 -8.852 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.668 -1.615 -7.518 1.00 0.00 H new ATOM 0 HE1 MET A 215 0.005 -0.211 -10.897 1.00 0.00 H new ATOM 0 HE2 MET A 215 0.950 -1.572 -10.246 1.00 0.00 H new ATOM 0 HE3 MET A 215 -0.683 -1.242 -9.620 1.00 0.00 H new ATOM 1083 N THR A 216 5.711 -1.783 -7.067 1.00 0.00 N ATOM 1084 CA THR A 216 6.558 -2.758 -7.735 1.00 0.00 C ATOM 1085 C THR A 216 6.840 -3.942 -6.808 1.00 0.00 C ATOM 1086 O THR A 216 6.873 -5.088 -7.252 1.00 0.00 O ATOM 1087 CB THR A 216 7.824 -2.040 -8.204 1.00 0.00 C ATOM 1088 OG1 THR A 216 8.013 -2.504 -9.538 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.076 -2.515 -7.463 1.00 0.00 C ATOM 0 H THR A 216 6.163 -0.891 -6.868 1.00 0.00 H new ATOM 0 HA THR A 216 6.063 -3.180 -8.609 1.00 0.00 H new ATOM 0 HB THR A 216 7.705 -0.966 -8.063 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.813 -2.086 -9.919 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.946 -1.973 -7.834 1.00 0.00 H new ATOM 0 HG22 THR A 216 8.960 -2.327 -6.396 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.215 -3.583 -7.631 1.00 0.00 H new ATOM 1097 N ALA A 217 7.034 -3.624 -5.536 1.00 0.00 N ATOM 1098 CA ALA A 217 7.312 -4.647 -4.543 1.00 0.00 C ATOM 1099 C ALA A 217 6.035 -5.445 -4.270 1.00 0.00 C ATOM 1100 O ALA A 217 6.077 -6.668 -4.148 1.00 0.00 O ATOM 1101 CB ALA A 217 7.873 -3.993 -3.279 1.00 0.00 C ATOM 0 H ALA A 217 7.004 -2.672 -5.171 1.00 0.00 H new ATOM 0 HA ALA A 217 8.065 -5.344 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.082 -4.761 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.794 -3.463 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.144 -3.288 -2.879 1.00 0.00 H new ATOM 1107 N CYS A 218 4.930 -4.720 -4.179 1.00 0.00 N ATOM 1108 CA CYS A 218 3.644 -5.345 -3.921 1.00 0.00 C ATOM 1109 C CYS A 218 3.362 -6.343 -5.044 1.00 0.00 C ATOM 1110 O CYS A 218 2.939 -7.470 -4.787 1.00 0.00 O ATOM 1111 CB CYS A 218 2.528 -4.307 -3.786 1.00 0.00 C ATOM 1112 SG CYS A 218 1.067 -5.059 -2.979 1.00 0.00 S ATOM 0 H CYS A 218 4.899 -3.705 -4.279 1.00 0.00 H new ATOM 0 HA CYS A 218 3.677 -5.872 -2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.880 -3.457 -3.201 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.254 -3.925 -4.770 1.00 0.00 H new ATOM 0 HG CYS A 218 0.175 -4.140 -2.753 1.00 0.00 H new ATOM 1118 N GLN A 219 3.606 -5.896 -6.268 1.00 0.00 N ATOM 1119 CA GLN A 219 3.384 -6.736 -7.431 1.00 0.00 C ATOM 1120 C GLN A 219 4.286 -7.971 -7.375 1.00 0.00 C ATOM 1121 O GLN A 219 3.967 -9.004 -7.961 1.00 0.00 O ATOM 1122 CB GLN A 219 3.608 -5.952 -8.725 1.00 0.00 C ATOM 1123 CG GLN A 219 2.392 -6.055 -9.647 1.00 0.00 C ATOM 1124 CD GLN A 219 2.336 -7.422 -10.331 1.00 0.00 C ATOM 1125 OE1 GLN A 219 1.738 -8.366 -9.841 1.00 0.00 O ATOM 1126 NE2 GLN A 219 2.992 -7.477 -11.487 1.00 0.00 N ATOM 0 H GLN A 219 3.956 -4.961 -6.478 1.00 0.00 H new ATOM 0 HA GLN A 219 2.346 -7.068 -7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 219 3.804 -4.906 -8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.491 -6.334 -9.238 1.00 0.00 H new ATOM 0 HG2 GLN A 219 1.480 -5.895 -9.071 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.435 -5.269 -10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 219 3.472 -6.650 -11.841 1.00 0.00 H new ATOM 0 HE22 GLN A 219 3.015 -8.347 -12.020 1.00 0.00 H new ATOM 1135 N GLY A 220 5.392 -7.824 -6.663 1.00 0.00 N ATOM 1136 CA GLY A 220 6.344 -8.912 -6.521 1.00 0.00 C ATOM 1137 C GLY A 220 5.854 -9.938 -5.497 1.00 0.00 C ATOM 1138 O GLY A 220 6.168 -11.123 -5.599 1.00 0.00 O ATOM 0 H GLY A 220 5.651 -6.966 -6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.493 -9.398 -7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.311 -8.516 -6.211 1.00 0.00 H new ATOM 1142 N VAL A 221 5.092 -9.444 -4.531 1.00 0.00 N ATOM 1143 CA VAL A 221 4.556 -10.303 -3.489 1.00 0.00 C ATOM 1144 C VAL A 221 4.064 -11.610 -4.113 1.00 0.00 C ATOM 1145 O VAL A 221 3.199 -11.598 -4.987 1.00 0.00 O ATOM 1146 CB VAL A 221 3.465 -9.563 -2.711 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.098 -9.751 -3.374 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.432 -10.013 -1.250 1.00 0.00 C ATOM 0 H VAL A 221 4.834 -8.461 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 221 5.333 -10.560 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 221 3.703 -8.500 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.340 -9.216 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.130 -9.359 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.850 -10.812 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.648 -9.472 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.229 -11.083 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.395 -9.806 -0.784 1.00 0.00 H new