USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=13 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= -12.2! C(o=-26!,f=-34!) USER MOD Set 1.2: A 195 ASN : amide:sc= -12.2! C(o=-26!,f=-41!) USER MOD Set 1.3: A 218 CYS SG : rot -28:sc= -1.33 USER MOD Single : A 149 SER OG : rot -70:sc= -1.78! USER MOD Single : A 164 TYR OH : rot -163:sc= 0.329 USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 82:sc= -1.18 USER MOD Single : A 186 THR OG1 : rot -46:sc= 0.0296 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.7!) USER MOD Single : A 193 ASN : amide:sc= -6.37! C(o=-6.4!,f=-7.6!) USER MOD Single : A 198 CYS SG : rot 180:sc= -0.0568 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+ -165:sc= 0 (180deg=-0.0556) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 214 MET CE :methyl 159:sc= -3.19! (180deg=-5.85!) USER MOD Single : A 215 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.320 5.641 7.127 1.00 0.00 N ATOM 16 CA SER A 149 -12.023 5.787 7.764 1.00 0.00 C ATOM 17 C SER A 149 -10.933 5.183 6.875 1.00 0.00 C ATOM 18 O SER A 149 -11.231 4.436 5.944 1.00 0.00 O ATOM 19 CB SER A 149 -12.008 5.128 9.144 1.00 0.00 C ATOM 20 OG SER A 149 -11.119 5.786 10.041 1.00 0.00 O ATOM 0 HA SER A 149 -11.826 6.851 7.898 1.00 0.00 H new ATOM 0 HB2 SER A 149 -13.015 5.137 9.561 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.714 4.083 9.043 1.00 0.00 H new ATOM 0 HG SER A 149 -10.193 5.620 9.765 1.00 0.00 H new ATOM 26 N ILE A 150 -9.694 5.528 7.193 1.00 0.00 N ATOM 27 CA ILE A 150 -8.560 5.029 6.435 1.00 0.00 C ATOM 28 C ILE A 150 -8.230 3.608 6.896 1.00 0.00 C ATOM 29 O ILE A 150 -7.530 2.873 6.202 1.00 0.00 O ATOM 30 CB ILE A 150 -7.380 5.997 6.537 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.840 7.444 6.348 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.271 5.615 5.555 1.00 0.00 C ATOM 33 CD1 ILE A 150 -8.145 7.735 4.878 1.00 0.00 C ATOM 0 H ILE A 150 -9.451 6.148 7.966 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.806 4.972 5.375 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.961 5.921 7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.729 7.628 6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.067 8.125 6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.444 6.319 5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.917 4.609 5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.660 5.645 4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.470 8.770 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -7.247 7.573 4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.936 7.069 4.532 1.00 0.00 H new ATOM 45 N LEU A 151 -8.752 3.263 8.064 1.00 0.00 N ATOM 46 CA LEU A 151 -8.522 1.942 8.626 1.00 0.00 C ATOM 47 C LEU A 151 -9.214 0.893 7.752 1.00 0.00 C ATOM 48 O LEU A 151 -8.752 -0.243 7.654 1.00 0.00 O ATOM 49 CB LEU A 151 -8.953 1.901 10.093 1.00 0.00 C ATOM 50 CG LEU A 151 -10.460 1.961 10.352 1.00 0.00 C ATOM 51 CD1 LEU A 151 -10.997 0.594 10.781 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.798 3.054 11.369 1.00 0.00 C ATOM 0 H LEU A 151 -9.333 3.875 8.637 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.458 1.708 8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.564 0.986 10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.482 2.735 10.613 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.957 2.224 9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.070 0.664 10.959 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.807 -0.135 9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.497 0.278 11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.875 3.076 11.535 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.290 2.845 12.310 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.470 4.021 10.987 1.00 0.00 H new ATOM 64 N ASP A 152 -10.313 1.312 7.140 1.00 0.00 N ATOM 65 CA ASP A 152 -11.073 0.423 6.278 1.00 0.00 C ATOM 66 C ASP A 152 -10.293 0.184 4.983 1.00 0.00 C ATOM 67 O ASP A 152 -10.608 -0.732 4.224 1.00 0.00 O ATOM 68 CB ASP A 152 -12.424 1.038 5.909 1.00 0.00 C ATOM 69 CG ASP A 152 -13.283 0.193 4.965 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.134 0.259 3.736 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.148 -0.567 5.547 1.00 0.00 O ATOM 0 H ASP A 152 -10.694 2.254 7.224 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.236 -0.511 6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.987 1.218 6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.250 2.009 5.446 1.00 0.00 H new ATOM 77 N ILE A 153 -9.290 1.024 4.770 1.00 0.00 N ATOM 78 CA ILE A 153 -8.463 0.915 3.581 1.00 0.00 C ATOM 79 C ILE A 153 -7.349 -0.103 3.831 1.00 0.00 C ATOM 80 O ILE A 153 -6.335 0.220 4.446 1.00 0.00 O ATOM 81 CB ILE A 153 -7.953 2.293 3.156 1.00 0.00 C ATOM 82 CG1 ILE A 153 -9.104 3.183 2.682 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.853 2.169 2.099 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.206 3.263 3.741 1.00 0.00 C ATOM 0 H ILE A 153 -9.032 1.783 5.401 1.00 0.00 H new ATOM 0 HA ILE A 153 -9.050 0.545 2.741 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.510 2.776 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.730 4.183 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.515 2.788 1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.508 3.163 1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -6.019 1.599 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.248 1.657 1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -11.012 3.901 3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.595 2.264 3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.797 3.681 4.661 1.00 0.00 H new ATOM 96 N ARG A 154 -7.577 -1.313 3.341 1.00 0.00 N ATOM 97 CA ARG A 154 -6.606 -2.382 3.503 1.00 0.00 C ATOM 98 C ARG A 154 -6.371 -3.094 2.169 1.00 0.00 C ATOM 99 O ARG A 154 -7.078 -2.842 1.194 1.00 0.00 O ATOM 100 CB ARG A 154 -7.075 -3.401 4.543 1.00 0.00 C ATOM 101 CG ARG A 154 -5.903 -3.903 5.388 1.00 0.00 C ATOM 102 CD ARG A 154 -6.046 -5.396 5.691 1.00 0.00 C ATOM 103 NE ARG A 154 -5.481 -5.698 7.024 1.00 0.00 N ATOM 104 CZ ARG A 154 -5.671 -6.862 7.681 1.00 0.00 C ATOM 105 NH1 ARG A 154 -6.414 -7.846 7.130 1.00 0.00 N ATOM 106 NH2 ARG A 154 -5.117 -7.025 8.868 1.00 0.00 N ATOM 0 H ARG A 154 -8.420 -1.577 2.831 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.674 -1.933 3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.825 -2.946 5.190 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.553 -4.243 4.042 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -4.966 -3.723 4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.856 -3.342 6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.097 -5.683 5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -5.532 -5.981 4.928 1.00 0.00 H new ATOM 0 HE ARG A 154 -4.912 -4.982 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -6.836 -7.713 6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -6.553 -8.723 7.633 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -4.555 -6.278 9.276 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -5.251 -7.898 9.378 1.00 0.00 H new ATOM 120 N GLN A 155 -5.377 -3.969 2.168 1.00 0.00 N ATOM 121 CA GLN A 155 -5.041 -4.719 0.970 1.00 0.00 C ATOM 122 C GLN A 155 -5.972 -5.924 0.820 1.00 0.00 C ATOM 123 O GLN A 155 -5.682 -7.005 1.329 1.00 0.00 O ATOM 124 CB GLN A 155 -3.575 -5.158 0.991 1.00 0.00 C ATOM 125 CG GLN A 155 -2.818 -4.597 -0.215 1.00 0.00 C ATOM 126 CD GLN A 155 -1.397 -4.185 0.175 1.00 0.00 C ATOM 127 OE1 GLN A 155 -1.149 -3.640 1.238 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.479 -4.476 -0.744 1.00 0.00 N ATOM 0 H GLN A 155 -4.793 -4.176 2.978 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.179 -4.068 0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -3.103 -4.817 1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.517 -6.246 0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.779 -5.346 -1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -3.353 -3.737 -0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -0.755 -4.933 -1.613 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.500 -4.242 -0.579 1.00 0.00 H new ATOM 196 N PRO A 160 -6.190 -5.724 -6.034 1.00 0.00 N ATOM 197 CA PRO A 160 -4.792 -5.411 -6.273 1.00 0.00 C ATOM 198 C PRO A 160 -4.337 -4.237 -5.404 1.00 0.00 C ATOM 199 O PRO A 160 -5.141 -3.643 -4.686 1.00 0.00 O ATOM 200 CB PRO A 160 -4.703 -5.114 -7.762 1.00 0.00 C ATOM 201 CG PRO A 160 -6.125 -4.821 -8.213 1.00 0.00 C ATOM 202 CD PRO A 160 -7.068 -5.277 -7.111 1.00 0.00 C ATOM 0 HA PRO A 160 -4.126 -6.231 -6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.049 -4.263 -7.952 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.288 -5.963 -8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.252 -3.756 -8.407 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.345 -5.343 -9.144 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.716 -4.464 -6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.717 -6.083 -7.453 1.00 0.00 H new ATOM 210 N PHE A 161 -3.050 -3.935 -5.496 1.00 0.00 N ATOM 211 CA PHE A 161 -2.480 -2.844 -4.727 1.00 0.00 C ATOM 212 C PHE A 161 -2.967 -1.491 -5.250 1.00 0.00 C ATOM 213 O PHE A 161 -3.163 -0.556 -4.475 1.00 0.00 O ATOM 214 CB PHE A 161 -0.961 -2.925 -4.893 1.00 0.00 C ATOM 215 CG PHE A 161 -0.182 -1.984 -3.972 1.00 0.00 C ATOM 216 CD1 PHE A 161 -0.344 -2.063 -2.624 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.670 -1.065 -4.501 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.379 -1.190 -1.769 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.394 -0.192 -3.646 1.00 0.00 C ATOM 220 CZ PHE A 161 1.232 -0.272 -2.299 1.00 0.00 C ATOM 0 H PHE A 161 -2.386 -4.428 -6.093 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.780 -2.929 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.640 -3.949 -4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.706 -2.696 -5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -1.023 -2.790 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.796 -0.999 -5.572 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.252 -1.255 -0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.073 0.535 -4.066 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.781 0.393 -1.649 1.00 0.00 H new ATOM 230 N ARG A 162 -3.148 -1.430 -6.561 1.00 0.00 N ATOM 231 CA ARG A 162 -3.609 -0.208 -7.196 1.00 0.00 C ATOM 232 C ARG A 162 -4.974 0.200 -6.637 1.00 0.00 C ATOM 233 O ARG A 162 -5.193 1.365 -6.312 1.00 0.00 O ATOM 234 CB ARG A 162 -3.717 -0.382 -8.712 1.00 0.00 C ATOM 235 CG ARG A 162 -3.229 0.869 -9.444 1.00 0.00 C ATOM 236 CD ARG A 162 -3.872 0.983 -10.829 1.00 0.00 C ATOM 237 NE ARG A 162 -2.856 0.748 -11.879 1.00 0.00 N ATOM 238 CZ ARG A 162 -2.497 -0.473 -12.327 1.00 0.00 C ATOM 239 NH1 ARG A 162 -3.071 -1.585 -11.819 1.00 0.00 N ATOM 240 NH2 ARG A 162 -1.578 -0.564 -13.270 1.00 0.00 N ATOM 0 H ARG A 162 -2.984 -2.207 -7.201 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.878 0.572 -6.982 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -3.128 -1.244 -9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.752 -0.587 -8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.467 1.755 -8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.144 0.835 -9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.680 0.258 -10.925 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.314 1.972 -10.954 1.00 0.00 H new ATOM 0 HE ARG A 162 -2.398 1.561 -12.290 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -3.781 -1.505 -11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -2.794 -2.504 -12.163 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -1.151 0.281 -13.649 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -1.295 -1.479 -13.620 1.00 0.00 H new ATOM 254 N ASP A 163 -5.857 -0.784 -6.545 1.00 0.00 N ATOM 255 CA ASP A 163 -7.194 -0.544 -6.032 1.00 0.00 C ATOM 256 C ASP A 163 -7.106 -0.132 -4.561 1.00 0.00 C ATOM 257 O ASP A 163 -7.839 0.750 -4.114 1.00 0.00 O ATOM 258 CB ASP A 163 -8.053 -1.807 -6.118 1.00 0.00 C ATOM 259 CG ASP A 163 -8.392 -2.263 -7.539 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.630 -2.019 -8.487 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.505 -2.902 -7.655 1.00 0.00 O ATOM 0 H ASP A 163 -5.672 -1.749 -6.817 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.649 0.243 -6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.533 -2.617 -5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.983 -1.633 -5.577 1.00 0.00 H new ATOM 267 N TYR A 164 -6.201 -0.789 -3.850 1.00 0.00 N ATOM 268 CA TYR A 164 -6.007 -0.502 -2.439 1.00 0.00 C ATOM 269 C TYR A 164 -5.537 0.940 -2.232 1.00 0.00 C ATOM 270 O TYR A 164 -6.022 1.632 -1.340 1.00 0.00 O ATOM 271 CB TYR A 164 -4.913 -1.458 -1.961 1.00 0.00 C ATOM 272 CG TYR A 164 -4.334 -1.106 -0.590 1.00 0.00 C ATOM 273 CD1 TYR A 164 -5.178 -0.893 0.482 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.968 -0.999 -0.423 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.634 -0.562 1.773 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.423 -0.667 0.867 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.283 -0.466 1.902 1.00 0.00 C ATOM 278 OH TYR A 164 -2.769 -0.152 3.121 1.00 0.00 O ATOM 0 H TYR A 164 -5.595 -1.519 -4.225 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.940 -0.627 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -5.319 -2.469 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -4.106 -1.466 -2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -6.247 -0.975 0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -2.307 -1.165 -1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.283 -0.394 2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.356 -0.579 1.010 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.843 0.153 3.017 1.00 0.00 H new ATOM 288 N VAL A 165 -4.596 1.345 -3.071 1.00 0.00 N ATOM 289 CA VAL A 165 -4.053 2.691 -2.990 1.00 0.00 C ATOM 290 C VAL A 165 -5.161 3.702 -3.293 1.00 0.00 C ATOM 291 O VAL A 165 -5.272 4.726 -2.621 1.00 0.00 O ATOM 292 CB VAL A 165 -2.850 2.826 -3.926 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.612 4.290 -4.306 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.597 2.215 -3.298 1.00 0.00 C ATOM 0 H VAL A 165 -4.196 0.766 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.691 2.897 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 165 -3.073 2.274 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.751 4.358 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.494 4.683 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.421 4.873 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.756 2.324 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.372 2.728 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.768 1.157 -3.099 1.00 0.00 H new ATOM 304 N ASP A 166 -5.952 3.379 -4.306 1.00 0.00 N ATOM 305 CA ASP A 166 -7.048 4.246 -4.705 1.00 0.00 C ATOM 306 C ASP A 166 -7.984 4.459 -3.514 1.00 0.00 C ATOM 307 O ASP A 166 -8.466 5.568 -3.290 1.00 0.00 O ATOM 308 CB ASP A 166 -7.861 3.619 -5.839 1.00 0.00 C ATOM 309 CG ASP A 166 -7.406 4.001 -7.250 1.00 0.00 C ATOM 310 OD1 ASP A 166 -6.203 4.001 -7.554 1.00 0.00 O ATOM 311 OD2 ASP A 166 -8.356 4.312 -8.064 1.00 0.00 O ATOM 0 H ASP A 166 -5.856 2.529 -4.862 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.624 5.191 -5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -7.817 2.534 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.905 3.908 -5.720 1.00 0.00 H new ATOM 317 N ARG A 167 -8.215 3.379 -2.782 1.00 0.00 N ATOM 318 CA ARG A 167 -9.085 3.433 -1.620 1.00 0.00 C ATOM 319 C ARG A 167 -8.460 4.306 -0.530 1.00 0.00 C ATOM 320 O ARG A 167 -9.141 5.132 0.075 1.00 0.00 O ATOM 321 CB ARG A 167 -9.343 2.034 -1.059 1.00 0.00 C ATOM 322 CG ARG A 167 -10.791 1.891 -0.587 1.00 0.00 C ATOM 323 CD ARG A 167 -10.985 0.597 0.208 1.00 0.00 C ATOM 324 NE ARG A 167 -11.020 -0.561 -0.712 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.113 -0.944 -1.405 1.00 0.00 C ATOM 326 NH1 ARG A 167 -13.273 -0.262 -1.287 1.00 0.00 N ATOM 327 NH2 ARG A 167 -12.031 -1.995 -2.199 1.00 0.00 N ATOM 0 H ARG A 167 -7.814 2.460 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 167 -10.035 3.865 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -9.131 1.287 -1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.665 1.841 -0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -11.061 2.746 0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.460 1.897 -1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.174 0.477 0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.912 0.647 0.779 1.00 0.00 H new ATOM 0 HE ARG A 167 -10.165 -1.104 -0.830 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -13.327 0.549 -0.671 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -14.094 -0.558 -1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -11.151 -2.504 -2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -12.848 -2.298 -2.730 1.00 0.00 H new ATOM 341 N PHE A 168 -7.172 4.090 -0.311 1.00 0.00 N ATOM 342 CA PHE A 168 -6.446 4.846 0.696 1.00 0.00 C ATOM 343 C PHE A 168 -6.520 6.348 0.413 1.00 0.00 C ATOM 344 O PHE A 168 -6.800 7.140 1.312 1.00 0.00 O ATOM 345 CB PHE A 168 -4.985 4.397 0.627 1.00 0.00 C ATOM 346 CG PHE A 168 -4.097 5.000 1.717 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.526 6.220 1.531 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.878 4.316 2.871 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.700 6.780 2.542 1.00 0.00 C ATOM 350 CE2 PHE A 168 -3.053 4.876 3.883 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.482 6.097 3.697 1.00 0.00 C ATOM 0 H PHE A 168 -6.612 3.402 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.880 4.667 1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.946 3.310 0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.579 4.665 -0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.701 6.763 0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.331 3.347 3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.245 7.748 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.879 4.333 4.800 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.856 6.523 4.467 1.00 0.00 H new ATOM 361 N TYR A 169 -6.263 6.696 -0.840 1.00 0.00 N ATOM 362 CA TYR A 169 -6.297 8.087 -1.253 1.00 0.00 C ATOM 363 C TYR A 169 -7.737 8.583 -1.394 1.00 0.00 C ATOM 364 O TYR A 169 -7.992 9.785 -1.350 1.00 0.00 O ATOM 365 CB TYR A 169 -5.617 8.139 -2.622 1.00 0.00 C ATOM 366 CG TYR A 169 -4.089 8.092 -2.559 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.457 7.104 -1.833 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.341 9.040 -3.230 1.00 0.00 C ATOM 369 CE1 TYR A 169 -2.018 7.061 -1.774 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.904 8.998 -3.172 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.312 8.010 -2.446 1.00 0.00 C ATOM 372 OH TYR A 169 0.045 7.970 -2.390 1.00 0.00 O ATOM 0 H TYR A 169 -6.030 6.037 -1.583 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.800 8.717 -0.515 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.972 7.303 -3.225 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.922 9.052 -3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -4.041 6.362 -1.309 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.835 9.814 -3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.511 6.293 -1.209 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.309 9.733 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 169 0.416 8.708 -2.917 1.00 0.00 H new ATOM 382 N LYS A 170 -8.643 7.630 -1.561 1.00 0.00 N ATOM 383 CA LYS A 170 -10.051 7.955 -1.710 1.00 0.00 C ATOM 384 C LYS A 170 -10.611 8.409 -0.359 1.00 0.00 C ATOM 385 O LYS A 170 -11.338 9.397 -0.285 1.00 0.00 O ATOM 386 CB LYS A 170 -10.811 6.778 -2.325 1.00 0.00 C ATOM 387 CG LYS A 170 -10.915 6.927 -3.845 1.00 0.00 C ATOM 388 CD LYS A 170 -11.783 5.820 -4.446 1.00 0.00 C ATOM 389 CE LYS A 170 -11.501 5.655 -5.941 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.769 5.546 -6.698 1.00 0.00 N ATOM 0 H LYS A 170 -8.429 6.633 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 170 -10.178 8.785 -2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.303 5.845 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.810 6.719 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.339 7.901 -4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.919 6.893 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -11.589 4.880 -3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -12.836 6.056 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -10.925 6.506 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -10.894 4.765 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -12.560 5.435 -7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -13.304 4.720 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -13.334 6.407 -6.554 1.00 0.00 H new ATOM 404 N THR A 171 -10.250 7.663 0.675 1.00 0.00 N ATOM 405 CA THR A 171 -10.705 7.976 2.019 1.00 0.00 C ATOM 406 C THR A 171 -9.964 9.199 2.562 1.00 0.00 C ATOM 407 O THR A 171 -10.558 10.042 3.235 1.00 0.00 O ATOM 408 CB THR A 171 -10.528 6.726 2.882 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.412 5.772 2.297 1.00 0.00 O ATOM 410 CG2 THR A 171 -11.069 6.912 4.301 1.00 0.00 C ATOM 0 H THR A 171 -9.648 6.843 0.609 1.00 0.00 H new ATOM 0 HA THR A 171 -11.761 8.246 2.026 1.00 0.00 H new ATOM 0 HB THR A 171 -9.471 6.464 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.980 5.359 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.918 5.995 4.871 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.541 7.732 4.787 1.00 0.00 H new ATOM 0 HG23 THR A 171 -12.134 7.141 4.257 1.00 0.00 H new ATOM 418 N LEU A 172 -8.678 9.259 2.252 1.00 0.00 N ATOM 419 CA LEU A 172 -7.850 10.365 2.700 1.00 0.00 C ATOM 420 C LEU A 172 -8.441 11.680 2.190 1.00 0.00 C ATOM 421 O LEU A 172 -8.586 12.636 2.950 1.00 0.00 O ATOM 422 CB LEU A 172 -6.393 10.145 2.288 1.00 0.00 C ATOM 423 CG LEU A 172 -5.909 10.948 1.080 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.885 12.445 1.392 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.551 10.442 0.592 1.00 0.00 C ATOM 0 H LEU A 172 -8.188 8.559 1.695 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.845 10.419 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.755 10.386 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.253 9.085 2.075 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.618 10.800 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.537 12.994 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.889 12.778 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -5.211 12.632 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.231 11.031 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.817 10.540 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.635 9.394 0.303 1.00 0.00 H new ATOM 437 N ARG A 173 -8.768 11.685 0.905 1.00 0.00 N ATOM 438 CA ARG A 173 -9.341 12.867 0.284 1.00 0.00 C ATOM 439 C ARG A 173 -10.808 13.020 0.688 1.00 0.00 C ATOM 440 O ARG A 173 -11.440 14.030 0.379 1.00 0.00 O ATOM 441 CB ARG A 173 -9.243 12.791 -1.241 1.00 0.00 C ATOM 442 CG ARG A 173 -8.010 13.537 -1.749 1.00 0.00 C ATOM 443 CD ARG A 173 -7.551 12.983 -3.100 1.00 0.00 C ATOM 444 NE ARG A 173 -6.572 13.904 -3.720 1.00 0.00 N ATOM 445 CZ ARG A 173 -5.267 13.957 -3.384 1.00 0.00 C ATOM 446 NH1 ARG A 173 -4.771 13.140 -2.429 1.00 0.00 N ATOM 447 NH2 ARG A 173 -4.480 14.819 -4.002 1.00 0.00 N ATOM 0 H ARG A 173 -8.647 10.890 0.278 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.774 13.731 0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.196 11.748 -1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.141 13.218 -1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.237 14.599 -1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.202 13.449 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -7.102 11.999 -2.965 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -8.409 12.854 -3.760 1.00 0.00 H new ATOM 0 HE ARG A 173 -6.905 14.538 -4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -5.385 12.477 -1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -3.783 13.187 -2.181 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -4.862 15.432 -4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -3.491 14.871 -3.759 1.00 0.00 H new ATOM 461 N ALA A 174 -11.311 12.003 1.372 1.00 0.00 N ATOM 462 CA ALA A 174 -12.692 12.011 1.821 1.00 0.00 C ATOM 463 C ALA A 174 -12.811 12.879 3.076 1.00 0.00 C ATOM 464 O ALA A 174 -13.909 13.291 3.447 1.00 0.00 O ATOM 465 CB ALA A 174 -13.161 10.574 2.058 1.00 0.00 C ATOM 0 H ALA A 174 -10.785 11.167 1.626 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.341 12.443 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.198 10.580 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.085 10.009 1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.535 10.108 2.819 1.00 0.00 H new ATOM 630 N THR A 186 1.594 9.156 5.067 1.00 0.00 N ATOM 631 CA THR A 186 0.598 8.443 4.284 1.00 0.00 C ATOM 632 C THR A 186 1.113 7.052 3.907 1.00 0.00 C ATOM 633 O THR A 186 0.371 6.073 3.976 1.00 0.00 O ATOM 634 CB THR A 186 0.241 9.307 3.074 1.00 0.00 C ATOM 635 OG1 THR A 186 1.442 9.350 2.309 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.013 10.768 3.452 1.00 0.00 C ATOM 0 HA THR A 186 -0.312 8.274 4.860 1.00 0.00 H new ATOM 0 HB THR A 186 -0.644 8.899 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 186 2.200 9.543 2.900 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.262 11.337 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 186 -0.841 10.822 4.159 1.00 0.00 H new ATOM 0 HG23 THR A 186 0.883 11.186 3.910 1.00 0.00 H new ATOM 644 N GLU A 187 2.378 7.010 3.517 1.00 0.00 N ATOM 645 CA GLU A 187 3.000 5.755 3.129 1.00 0.00 C ATOM 646 C GLU A 187 3.113 4.823 4.337 1.00 0.00 C ATOM 647 O GLU A 187 3.093 3.602 4.188 1.00 0.00 O ATOM 648 CB GLU A 187 4.370 5.995 2.492 1.00 0.00 C ATOM 649 CG GLU A 187 5.347 6.599 3.503 1.00 0.00 C ATOM 650 CD GLU A 187 5.301 8.127 3.467 1.00 0.00 C ATOM 651 OE1 GLU A 187 4.395 8.734 4.056 1.00 0.00 O ATOM 652 OE2 GLU A 187 6.251 8.686 2.796 1.00 0.00 O ATOM 0 H GLU A 187 2.990 7.824 3.461 1.00 0.00 H new ATOM 0 HA GLU A 187 2.368 5.275 2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.769 5.054 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.266 6.664 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 187 5.101 6.248 4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 187 6.359 6.257 3.285 1.00 0.00 H new ATOM 660 N THR A 188 3.231 5.433 5.507 1.00 0.00 N ATOM 661 CA THR A 188 3.347 4.673 6.740 1.00 0.00 C ATOM 662 C THR A 188 2.013 4.009 7.084 1.00 0.00 C ATOM 663 O THR A 188 1.986 2.877 7.568 1.00 0.00 O ATOM 664 CB THR A 188 3.856 5.617 7.831 1.00 0.00 C ATOM 665 OG1 THR A 188 4.810 4.838 8.548 1.00 0.00 O ATOM 666 CG2 THR A 188 2.782 5.942 8.872 1.00 0.00 C ATOM 0 H THR A 188 3.249 6.446 5.627 1.00 0.00 H new ATOM 0 HA THR A 188 4.063 3.857 6.637 1.00 0.00 H new ATOM 0 HB THR A 188 4.211 6.541 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.191 5.375 9.274 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.195 6.615 9.623 1.00 0.00 H new ATOM 0 HG22 THR A 188 1.934 6.421 8.383 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.451 5.021 9.353 1.00 0.00 H new ATOM 674 N LEU A 189 0.939 4.739 6.824 1.00 0.00 N ATOM 675 CA LEU A 189 -0.395 4.235 7.100 1.00 0.00 C ATOM 676 C LEU A 189 -0.752 3.159 6.074 1.00 0.00 C ATOM 677 O LEU A 189 -1.246 2.092 6.433 1.00 0.00 O ATOM 678 CB LEU A 189 -1.401 5.386 7.161 1.00 0.00 C ATOM 679 CG LEU A 189 -1.949 5.725 8.549 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.853 6.959 8.494 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.660 4.522 9.168 1.00 0.00 C ATOM 0 H LEU A 189 0.966 5.677 6.424 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.428 3.762 8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.928 6.278 6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.241 5.143 6.510 1.00 0.00 H new ATOM 0 HG LEU A 189 -1.108 5.969 9.198 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.230 7.179 9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -2.283 7.812 8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.691 6.766 7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -3.039 4.791 10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.491 4.222 8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -1.958 3.694 9.263 1.00 0.00 H new ATOM 693 N LEU A 190 -0.488 3.477 4.814 1.00 0.00 N ATOM 694 CA LEU A 190 -0.774 2.551 3.733 1.00 0.00 C ATOM 695 C LEU A 190 0.014 1.259 3.950 1.00 0.00 C ATOM 696 O LEU A 190 -0.526 0.164 3.794 1.00 0.00 O ATOM 697 CB LEU A 190 -0.511 3.212 2.378 1.00 0.00 C ATOM 698 CG LEU A 190 -0.636 2.303 1.153 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.883 2.651 0.336 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.637 2.350 0.305 1.00 0.00 C ATOM 0 H LEU A 190 -0.079 4.364 4.519 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.830 2.283 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.206 4.044 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.494 3.635 2.391 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.755 1.276 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.948 1.990 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.771 2.526 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.820 3.685 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.523 1.696 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.811 3.371 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.485 2.016 0.903 1.00 0.00 H new ATOM 712 N VAL A 191 1.280 1.429 4.305 1.00 0.00 N ATOM 713 CA VAL A 191 2.148 0.289 4.546 1.00 0.00 C ATOM 714 C VAL A 191 1.684 -0.444 5.805 1.00 0.00 C ATOM 715 O VAL A 191 1.575 -1.669 5.810 1.00 0.00 O ATOM 716 CB VAL A 191 3.606 0.750 4.625 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.493 -0.341 5.229 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.122 1.176 3.249 1.00 0.00 C ATOM 0 H VAL A 191 1.725 2.338 4.431 1.00 0.00 H new ATOM 0 HA VAL A 191 2.088 -0.418 3.719 1.00 0.00 H new ATOM 0 HB VAL A 191 3.648 1.619 5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.523 0.011 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.146 -0.577 6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.442 -1.236 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.160 1.499 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.059 0.334 2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.515 1.999 2.872 1.00 0.00 H new ATOM 728 N GLN A 192 1.424 0.336 6.844 1.00 0.00 N ATOM 729 CA GLN A 192 0.974 -0.223 8.107 1.00 0.00 C ATOM 730 C GLN A 192 -0.379 -0.916 7.928 1.00 0.00 C ATOM 731 O GLN A 192 -0.629 -1.962 8.526 1.00 0.00 O ATOM 732 CB GLN A 192 0.898 0.856 9.189 1.00 0.00 C ATOM 733 CG GLN A 192 2.278 1.120 9.796 1.00 0.00 C ATOM 734 CD GLN A 192 2.267 0.884 11.308 1.00 0.00 C ATOM 735 OE1 GLN A 192 1.239 0.936 11.962 1.00 0.00 O ATOM 736 NE2 GLN A 192 3.463 0.621 11.824 1.00 0.00 N ATOM 0 H GLN A 192 1.517 1.352 6.837 1.00 0.00 H new ATOM 0 HA GLN A 192 1.702 -0.966 8.433 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.502 1.777 8.762 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.206 0.544 9.971 1.00 0.00 H new ATOM 0 HG2 GLN A 192 3.016 0.468 9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 192 2.581 2.146 9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 192 4.284 0.592 11.220 1.00 0.00 H new ATOM 0 HE22 GLN A 192 3.560 0.448 12.824 1.00 0.00 H new ATOM 745 N ASN A 193 -1.217 -0.304 7.104 1.00 0.00 N ATOM 746 CA ASN A 193 -2.537 -0.848 6.840 1.00 0.00 C ATOM 747 C ASN A 193 -2.490 -1.699 5.569 1.00 0.00 C ATOM 748 O ASN A 193 -3.520 -1.948 4.946 1.00 0.00 O ATOM 749 CB ASN A 193 -3.561 0.268 6.624 1.00 0.00 C ATOM 750 CG ASN A 193 -4.988 -0.250 6.812 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.430 -1.180 6.157 1.00 0.00 O ATOM 752 ND2 ASN A 193 -5.681 0.399 7.742 1.00 0.00 N ATOM 0 H ASN A 193 -1.007 0.564 6.611 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.832 -1.446 7.702 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.371 1.081 7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.449 0.679 5.621 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -6.643 0.127 7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -5.251 1.169 8.254 1.00 0.00 H new ATOM 759 N ALA A 194 -1.282 -2.120 5.223 1.00 0.00 N ATOM 760 CA ALA A 194 -1.085 -2.936 4.037 1.00 0.00 C ATOM 761 C ALA A 194 -0.738 -4.366 4.459 1.00 0.00 C ATOM 762 O ALA A 194 -0.299 -4.594 5.586 1.00 0.00 O ATOM 763 CB ALA A 194 -0.002 -2.309 3.159 1.00 0.00 C ATOM 0 H ALA A 194 -0.430 -1.911 5.743 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.999 -2.979 3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.145 -2.922 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -0.310 -1.306 2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.932 -2.251 3.718 1.00 0.00 H new ATOM 769 N ASN A 195 -0.949 -5.290 3.534 1.00 0.00 N ATOM 770 CA ASN A 195 -0.664 -6.690 3.796 1.00 0.00 C ATOM 771 C ASN A 195 0.677 -6.805 4.525 1.00 0.00 C ATOM 772 O ASN A 195 1.452 -5.853 4.560 1.00 0.00 O ATOM 773 CB ASN A 195 -0.563 -7.485 2.492 1.00 0.00 C ATOM 774 CG ASN A 195 -0.064 -6.601 1.348 1.00 0.00 C ATOM 775 OD1 ASN A 195 0.369 -5.478 1.541 1.00 0.00 O ATOM 776 ND2 ASN A 195 -0.149 -7.170 0.149 1.00 0.00 N ATOM 0 H ASN A 195 -1.314 -5.096 2.602 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.476 -7.092 4.402 1.00 0.00 H new ATOM 0 HB2 ASN A 195 0.115 -8.328 2.627 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -1.539 -7.899 2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 195 0.159 -6.661 -0.680 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -0.522 -8.115 0.058 1.00 0.00 H new ATOM 783 N PRO A 196 0.913 -8.013 5.104 1.00 0.00 N ATOM 784 CA PRO A 196 2.146 -8.265 5.831 1.00 0.00 C ATOM 785 C PRO A 196 3.320 -8.458 4.869 1.00 0.00 C ATOM 786 O PRO A 196 4.371 -7.840 5.033 1.00 0.00 O ATOM 787 CB PRO A 196 1.861 -9.497 6.674 1.00 0.00 C ATOM 788 CG PRO A 196 0.646 -10.160 6.047 1.00 0.00 C ATOM 789 CD PRO A 196 0.017 -9.166 5.084 1.00 0.00 C ATOM 0 HA PRO A 196 2.441 -7.426 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.716 -10.173 6.679 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.665 -9.224 7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 196 0.936 -11.069 5.521 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -0.069 -10.451 6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -0.067 -9.585 4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.989 -8.891 5.400 1.00 0.00 H new ATOM 797 N ASP A 197 3.102 -9.318 3.884 1.00 0.00 N ATOM 798 CA ASP A 197 4.128 -9.600 2.896 1.00 0.00 C ATOM 799 C ASP A 197 4.684 -8.281 2.353 1.00 0.00 C ATOM 800 O ASP A 197 5.898 -8.104 2.265 1.00 0.00 O ATOM 801 CB ASP A 197 3.556 -10.391 1.718 1.00 0.00 C ATOM 802 CG ASP A 197 2.704 -11.602 2.104 1.00 0.00 C ATOM 803 OD1 ASP A 197 1.521 -11.468 2.448 1.00 0.00 O ATOM 804 OD2 ASP A 197 3.313 -12.737 2.041 1.00 0.00 O ATOM 0 H ASP A 197 2.229 -9.828 3.750 1.00 0.00 H new ATOM 0 HA ASP A 197 4.909 -10.187 3.380 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.951 -9.720 1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.382 -10.731 1.093 1.00 0.00 H new ATOM 810 N CYS A 198 3.768 -7.389 2.003 1.00 0.00 N ATOM 811 CA CYS A 198 4.152 -6.092 1.473 1.00 0.00 C ATOM 812 C CYS A 198 5.013 -5.380 2.519 1.00 0.00 C ATOM 813 O CYS A 198 5.948 -4.661 2.173 1.00 0.00 O ATOM 814 CB CYS A 198 2.931 -5.260 1.076 1.00 0.00 C ATOM 815 SG CYS A 198 3.453 -3.825 0.067 1.00 0.00 S ATOM 0 H CYS A 198 2.762 -7.539 2.076 1.00 0.00 H new ATOM 0 HA CYS A 198 4.731 -6.227 0.559 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.229 -5.875 0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.409 -4.917 1.969 1.00 0.00 H new ATOM 0 HG CYS A 198 2.409 -3.126 -0.267 1.00 0.00 H new ATOM 821 N LYS A 199 4.663 -5.604 3.776 1.00 0.00 N ATOM 822 CA LYS A 199 5.393 -4.993 4.876 1.00 0.00 C ATOM 823 C LYS A 199 6.869 -5.380 4.780 1.00 0.00 C ATOM 824 O LYS A 199 7.746 -4.525 4.893 1.00 0.00 O ATOM 825 CB LYS A 199 4.747 -5.357 6.214 1.00 0.00 C ATOM 826 CG LYS A 199 5.191 -4.392 7.316 1.00 0.00 C ATOM 827 CD LYS A 199 4.288 -4.512 8.545 1.00 0.00 C ATOM 828 CE LYS A 199 3.801 -3.136 9.005 1.00 0.00 C ATOM 829 NZ LYS A 199 4.525 -2.710 10.224 1.00 0.00 N ATOM 0 H LYS A 199 3.885 -6.199 4.059 1.00 0.00 H new ATOM 0 HA LYS A 199 5.344 -3.906 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.662 -5.330 6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.018 -6.377 6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.223 -4.604 7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.166 -3.369 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 199 3.432 -5.145 8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 199 4.832 -4.998 9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 199 3.954 -2.406 8.210 1.00 0.00 H new ATOM 0 HE3 LYS A 199 2.730 -3.171 9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 4.182 -1.775 10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 4.358 -3.399 10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 5.544 -2.657 10.022 1.00 0.00 H new ATOM 843 N THR A 200 7.098 -6.669 4.573 1.00 0.00 N ATOM 844 CA THR A 200 8.453 -7.178 4.461 1.00 0.00 C ATOM 845 C THR A 200 9.162 -6.552 3.257 1.00 0.00 C ATOM 846 O THR A 200 10.324 -6.159 3.353 1.00 0.00 O ATOM 847 CB THR A 200 8.381 -8.706 4.396 1.00 0.00 C ATOM 848 OG1 THR A 200 7.865 -9.083 5.670 1.00 0.00 O ATOM 849 CG2 THR A 200 9.764 -9.356 4.345 1.00 0.00 C ATOM 0 H THR A 200 6.368 -7.375 4.480 1.00 0.00 H new ATOM 0 HA THR A 200 9.051 -6.902 5.330 1.00 0.00 H new ATOM 0 HB THR A 200 7.808 -9.006 3.518 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.784 -10.059 5.714 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.655 -10.440 4.300 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.297 -9.008 3.461 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.327 -9.085 5.238 1.00 0.00 H new ATOM 857 N ILE A 201 8.432 -6.479 2.155 1.00 0.00 N ATOM 858 CA ILE A 201 8.976 -5.907 0.934 1.00 0.00 C ATOM 859 C ILE A 201 9.305 -4.433 1.170 1.00 0.00 C ATOM 860 O ILE A 201 10.306 -3.929 0.663 1.00 0.00 O ATOM 861 CB ILE A 201 8.022 -6.146 -0.240 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.341 -7.511 -0.125 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.746 -5.976 -1.577 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.309 -8.222 -1.479 1.00 0.00 C ATOM 0 H ILE A 201 7.469 -6.806 2.081 1.00 0.00 H new ATOM 0 HA ILE A 201 9.909 -6.402 0.663 1.00 0.00 H new ATOM 0 HB ILE A 201 7.236 -5.392 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.872 -8.127 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.325 -7.384 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 201 8.046 -6.151 -2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 201 9.143 -4.963 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.565 -6.692 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.820 -9.190 -1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.756 -7.615 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.328 -8.369 -1.837 1.00 0.00 H new ATOM 876 N LEU A 202 8.443 -3.783 1.938 1.00 0.00 N ATOM 877 CA LEU A 202 8.630 -2.374 2.247 1.00 0.00 C ATOM 878 C LEU A 202 9.881 -2.209 3.114 1.00 0.00 C ATOM 879 O LEU A 202 10.602 -1.221 2.986 1.00 0.00 O ATOM 880 CB LEU A 202 7.365 -1.792 2.877 1.00 0.00 C ATOM 881 CG LEU A 202 6.677 -0.673 2.090 1.00 0.00 C ATOM 882 CD1 LEU A 202 7.708 0.262 1.453 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.707 -1.247 1.055 1.00 0.00 C ATOM 0 H LEU A 202 7.614 -4.205 2.356 1.00 0.00 H new ATOM 0 HA LEU A 202 8.796 -1.802 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.649 -2.601 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.618 -1.411 3.866 1.00 0.00 H new ATOM 0 HG LEU A 202 6.088 -0.077 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 202 7.194 1.048 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 202 8.323 0.710 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 202 8.342 -0.306 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.232 -0.431 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.253 -1.880 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 202 4.944 -1.839 1.560 1.00 0.00 H new ATOM 895 N LYS A 203 10.099 -3.190 3.976 1.00 0.00 N ATOM 896 CA LYS A 203 11.249 -3.167 4.863 1.00 0.00 C ATOM 897 C LYS A 203 12.531 -3.235 4.031 1.00 0.00 C ATOM 898 O LYS A 203 13.509 -2.554 4.333 1.00 0.00 O ATOM 899 CB LYS A 203 11.138 -4.271 5.915 1.00 0.00 C ATOM 900 CG LYS A 203 10.614 -3.716 7.241 1.00 0.00 C ATOM 901 CD LYS A 203 10.203 -4.848 8.185 1.00 0.00 C ATOM 902 CE LYS A 203 10.439 -4.456 9.646 1.00 0.00 C ATOM 903 NZ LYS A 203 11.881 -4.526 9.973 1.00 0.00 N ATOM 0 H LYS A 203 9.498 -4.007 4.079 1.00 0.00 H new ATOM 0 HA LYS A 203 11.280 -2.231 5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.471 -5.054 5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 203 12.114 -4.730 6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 203 11.384 -3.105 7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.760 -3.065 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 203 9.150 -5.088 8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.772 -5.747 7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 203 10.068 -3.446 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 203 9.878 -5.121 10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 12.004 -4.510 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 12.281 -5.406 9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 12.372 -3.711 9.553 1.00 0.00 H new ATOM 917 N ALA A 204 12.485 -4.066 2.999 1.00 0.00 N ATOM 918 CA ALA A 204 13.631 -4.233 2.122 1.00 0.00 C ATOM 919 C ALA A 204 13.754 -3.010 1.212 1.00 0.00 C ATOM 920 O ALA A 204 14.846 -2.683 0.749 1.00 0.00 O ATOM 921 CB ALA A 204 13.482 -5.534 1.330 1.00 0.00 C ATOM 0 H ALA A 204 11.672 -4.630 2.751 1.00 0.00 H new ATOM 0 HA ALA A 204 14.551 -4.307 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.342 -5.660 0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.427 -6.376 2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.571 -5.494 0.733 1.00 0.00 H new ATOM 927 N LEU A 205 12.619 -2.366 0.983 1.00 0.00 N ATOM 928 CA LEU A 205 12.585 -1.184 0.137 1.00 0.00 C ATOM 929 C LEU A 205 13.455 -0.091 0.761 1.00 0.00 C ATOM 930 O LEU A 205 14.658 -0.030 0.512 1.00 0.00 O ATOM 931 CB LEU A 205 11.142 -0.749 -0.120 1.00 0.00 C ATOM 932 CG LEU A 205 10.572 -1.100 -1.497 1.00 0.00 C ATOM 933 CD1 LEU A 205 9.861 -2.455 -1.465 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.660 0.014 -2.013 1.00 0.00 C ATOM 0 H LEU A 205 11.715 -2.640 1.369 1.00 0.00 H new ATOM 0 HA LEU A 205 13.005 -1.406 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.506 -1.201 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 205 11.080 0.331 0.013 1.00 0.00 H new ATOM 0 HG LEU A 205 11.401 -1.187 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.465 -2.682 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 205 10.569 -3.230 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.042 -2.419 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.269 -0.261 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 205 8.832 0.157 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.228 0.940 -2.096 1.00 0.00 H new ATOM 946 N GLY A 206 12.811 0.747 1.563 1.00 0.00 N ATOM 947 CA GLY A 206 13.511 1.835 2.224 1.00 0.00 C ATOM 948 C GLY A 206 12.551 2.660 3.084 1.00 0.00 C ATOM 949 O GLY A 206 11.351 2.696 2.821 1.00 0.00 O ATOM 0 H GLY A 206 11.813 0.694 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.310 1.433 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.981 2.477 1.478 1.00 0.00 H new ATOM 953 N PRO A 207 13.132 3.320 4.121 1.00 0.00 N ATOM 954 CA PRO A 207 12.343 4.143 5.022 1.00 0.00 C ATOM 955 C PRO A 207 11.951 5.464 4.357 1.00 0.00 C ATOM 956 O PRO A 207 12.294 6.537 4.850 1.00 0.00 O ATOM 957 CB PRO A 207 13.218 4.334 6.251 1.00 0.00 C ATOM 958 CG PRO A 207 14.635 4.007 5.808 1.00 0.00 C ATOM 959 CD PRO A 207 14.552 3.300 4.463 1.00 0.00 C ATOM 0 HA PRO A 207 11.395 3.678 5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 207 13.151 5.356 6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.901 3.678 7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 207 15.229 4.917 5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 207 15.128 3.371 6.544 1.00 0.00 H new ATOM 0 HD2 PRO A 207 15.148 3.813 3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.929 2.279 4.528 1.00 0.00 H new ATOM 967 N GLY A 208 11.237 5.340 3.246 1.00 0.00 N ATOM 968 CA GLY A 208 10.794 6.511 2.509 1.00 0.00 C ATOM 969 C GLY A 208 10.717 6.216 1.009 1.00 0.00 C ATOM 970 O GLY A 208 11.152 7.025 0.191 1.00 0.00 O ATOM 0 H GLY A 208 10.955 4.448 2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.816 6.826 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.481 7.338 2.686 1.00 0.00 H new ATOM 974 N ALA A 209 10.157 5.057 0.695 1.00 0.00 N ATOM 975 CA ALA A 209 10.016 4.645 -0.692 1.00 0.00 C ATOM 976 C ALA A 209 8.792 5.332 -1.301 1.00 0.00 C ATOM 977 O ALA A 209 7.932 5.832 -0.578 1.00 0.00 O ATOM 978 CB ALA A 209 9.925 3.119 -0.765 1.00 0.00 C ATOM 0 H ALA A 209 9.796 4.390 1.377 1.00 0.00 H new ATOM 0 HA ALA A 209 10.887 4.947 -1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 209 9.819 2.810 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 209 10.831 2.680 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.060 2.778 -0.196 1.00 0.00 H new ATOM 984 N THR A 210 8.754 5.336 -2.625 1.00 0.00 N ATOM 985 CA THR A 210 7.649 5.953 -3.340 1.00 0.00 C ATOM 986 C THR A 210 6.591 4.907 -3.694 1.00 0.00 C ATOM 987 O THR A 210 6.851 3.707 -3.622 1.00 0.00 O ATOM 988 CB THR A 210 8.221 6.676 -4.561 1.00 0.00 C ATOM 989 OG1 THR A 210 7.069 7.110 -5.279 1.00 0.00 O ATOM 990 CG2 THR A 210 8.926 5.723 -5.527 1.00 0.00 C ATOM 0 H THR A 210 9.470 4.922 -3.222 1.00 0.00 H new ATOM 0 HA THR A 210 7.138 6.688 -2.718 1.00 0.00 H new ATOM 0 HB THR A 210 8.921 7.444 -4.233 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.348 7.591 -6.086 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.314 6.286 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.750 5.228 -5.013 1.00 0.00 H new ATOM 0 HG23 THR A 210 8.217 4.974 -5.881 1.00 0.00 H new ATOM 998 N LEU A 211 5.419 5.399 -4.068 1.00 0.00 N ATOM 999 CA LEU A 211 4.321 4.521 -4.433 1.00 0.00 C ATOM 1000 C LEU A 211 4.783 3.564 -5.535 1.00 0.00 C ATOM 1001 O LEU A 211 4.627 2.350 -5.413 1.00 0.00 O ATOM 1002 CB LEU A 211 3.083 5.340 -4.809 1.00 0.00 C ATOM 1003 CG LEU A 211 2.285 5.922 -3.640 1.00 0.00 C ATOM 1004 CD1 LEU A 211 1.347 4.874 -3.041 1.00 0.00 C ATOM 1005 CD2 LEU A 211 3.218 6.527 -2.587 1.00 0.00 C ATOM 0 H LEU A 211 5.206 6.395 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 211 4.024 3.908 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.397 6.161 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 211 2.418 4.708 -5.398 1.00 0.00 H new ATOM 0 HG LEU A 211 1.661 6.731 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 211 0.792 5.314 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.648 4.532 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 211 1.931 4.028 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 211 2.626 6.934 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 211 3.885 5.754 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 211 3.808 7.324 -3.039 1.00 0.00 H new ATOM 1017 N GLU A 212 5.341 4.148 -6.586 1.00 0.00 N ATOM 1018 CA GLU A 212 5.825 3.364 -7.707 1.00 0.00 C ATOM 1019 C GLU A 212 6.641 2.170 -7.207 1.00 0.00 C ATOM 1020 O GLU A 212 6.544 1.073 -7.754 1.00 0.00 O ATOM 1021 CB GLU A 212 6.648 4.226 -8.666 1.00 0.00 C ATOM 1022 CG GLU A 212 5.742 4.987 -9.635 1.00 0.00 C ATOM 1023 CD GLU A 212 6.485 6.162 -10.273 1.00 0.00 C ATOM 1024 OE1 GLU A 212 7.474 6.652 -9.708 1.00 0.00 O ATOM 1025 OE2 GLU A 212 6.002 6.566 -11.399 1.00 0.00 O ATOM 0 H GLU A 212 5.468 5.155 -6.683 1.00 0.00 H new ATOM 0 HA GLU A 212 4.964 2.986 -8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 212 7.253 4.932 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.338 3.595 -9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 212 5.387 4.311 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 212 4.863 5.353 -9.105 1.00 0.00 H new ATOM 1033 N GLU A 213 7.429 2.424 -6.171 1.00 0.00 N ATOM 1034 CA GLU A 213 8.260 1.384 -5.591 1.00 0.00 C ATOM 1035 C GLU A 213 7.400 0.396 -4.799 1.00 0.00 C ATOM 1036 O GLU A 213 7.645 -0.808 -4.829 1.00 0.00 O ATOM 1037 CB GLU A 213 9.355 1.986 -4.709 1.00 0.00 C ATOM 1038 CG GLU A 213 10.600 1.096 -4.695 1.00 0.00 C ATOM 1039 CD GLU A 213 11.383 1.225 -6.004 1.00 0.00 C ATOM 1040 OE1 GLU A 213 10.810 1.046 -7.088 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.629 1.525 -5.865 1.00 0.00 O ATOM 0 H GLU A 213 7.509 3.335 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 213 8.748 0.842 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.617 2.978 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 213 8.981 2.110 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.239 1.372 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.307 0.057 -4.544 1.00 0.00 H new ATOM 1049 N MET A 214 6.412 0.944 -4.108 1.00 0.00 N ATOM 1050 CA MET A 214 5.515 0.127 -3.309 1.00 0.00 C ATOM 1051 C MET A 214 4.711 -0.830 -4.193 1.00 0.00 C ATOM 1052 O MET A 214 4.568 -2.008 -3.870 1.00 0.00 O ATOM 1053 CB MET A 214 4.556 1.030 -2.533 1.00 0.00 C ATOM 1054 CG MET A 214 5.303 1.832 -1.464 1.00 0.00 C ATOM 1055 SD MET A 214 4.340 3.257 -0.986 1.00 0.00 S ATOM 1056 CE MET A 214 5.542 4.121 0.015 1.00 0.00 C ATOM 0 H MET A 214 6.213 1.944 -4.085 1.00 0.00 H new ATOM 0 HA MET A 214 6.114 -0.464 -2.616 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.056 1.712 -3.221 1.00 0.00 H new ATOM 0 HB3 MET A 214 3.781 0.425 -2.063 1.00 0.00 H new ATOM 0 HG2 MET A 214 5.495 1.204 -0.594 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.273 2.150 -1.847 1.00 0.00 H new ATOM 0 HE1 MET A 214 5.267 5.173 0.087 1.00 0.00 H new ATOM 0 HE2 MET A 214 5.566 3.683 1.013 1.00 0.00 H new ATOM 0 HE3 MET A 214 6.527 4.034 -0.443 1.00 0.00 H new ATOM 1066 N MET A 215 4.206 -0.285 -5.292 1.00 0.00 N ATOM 1067 CA MET A 215 3.420 -1.075 -6.225 1.00 0.00 C ATOM 1068 C MET A 215 4.302 -2.079 -6.972 1.00 0.00 C ATOM 1069 O MET A 215 3.869 -3.191 -7.267 1.00 0.00 O ATOM 1070 CB MET A 215 2.737 -0.148 -7.231 1.00 0.00 C ATOM 1071 CG MET A 215 1.710 -0.910 -8.071 1.00 0.00 C ATOM 1072 SD MET A 215 0.558 0.235 -8.813 1.00 0.00 S ATOM 1073 CE MET A 215 1.511 0.760 -10.227 1.00 0.00 C ATOM 0 H MET A 215 4.326 0.693 -5.556 1.00 0.00 H new ATOM 0 HA MET A 215 2.669 -1.628 -5.661 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.245 0.669 -6.702 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.486 0.300 -7.884 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.216 -1.484 -8.847 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.174 -1.624 -7.446 1.00 0.00 H new ATOM 0 HE1 MET A 215 0.936 1.483 -10.805 1.00 0.00 H new ATOM 0 HE2 MET A 215 2.439 1.222 -9.889 1.00 0.00 H new ATOM 0 HE3 MET A 215 1.741 -0.103 -10.851 1.00 0.00 H new ATOM 1083 N THR A 216 5.522 -1.647 -7.257 1.00 0.00 N ATOM 1084 CA THR A 216 6.467 -2.494 -7.965 1.00 0.00 C ATOM 1085 C THR A 216 6.824 -3.719 -7.119 1.00 0.00 C ATOM 1086 O THR A 216 6.979 -4.819 -7.648 1.00 0.00 O ATOM 1087 CB THR A 216 7.680 -1.639 -8.338 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.422 -1.236 -9.680 1.00 0.00 O ATOM 1089 CG2 THR A 216 8.967 -2.460 -8.434 1.00 0.00 C ATOM 0 H THR A 216 5.877 -0.723 -7.011 1.00 0.00 H new ATOM 0 HA THR A 216 6.033 -2.888 -8.884 1.00 0.00 H new ATOM 0 HB THR A 216 7.809 -0.849 -7.598 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.159 -0.676 -10.001 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.797 -1.806 -8.701 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.171 -2.930 -7.472 1.00 0.00 H new ATOM 0 HG23 THR A 216 8.852 -3.230 -9.197 1.00 0.00 H new ATOM 1097 N ALA A 217 6.943 -3.486 -5.820 1.00 0.00 N ATOM 1098 CA ALA A 217 7.279 -4.556 -4.897 1.00 0.00 C ATOM 1099 C ALA A 217 6.073 -5.483 -4.737 1.00 0.00 C ATOM 1100 O ALA A 217 6.220 -6.705 -4.725 1.00 0.00 O ATOM 1101 CB ALA A 217 7.734 -3.957 -3.565 1.00 0.00 C ATOM 0 H ALA A 217 6.813 -2.572 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 217 8.104 -5.153 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 217 7.986 -4.760 -2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.611 -3.330 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 217 6.930 -3.354 -3.144 1.00 0.00 H new ATOM 1107 N CYS A 218 4.905 -4.868 -4.619 1.00 0.00 N ATOM 1108 CA CYS A 218 3.674 -5.622 -4.461 1.00 0.00 C ATOM 1109 C CYS A 218 3.527 -6.559 -5.662 1.00 0.00 C ATOM 1110 O CYS A 218 3.180 -7.729 -5.503 1.00 0.00 O ATOM 1111 CB CYS A 218 2.462 -4.702 -4.304 1.00 0.00 C ATOM 1112 SG CYS A 218 1.031 -5.652 -3.671 1.00 0.00 S ATOM 0 H CYS A 218 4.786 -3.855 -4.630 1.00 0.00 H new ATOM 0 HA CYS A 218 3.721 -6.211 -3.545 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.700 -3.888 -3.619 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.212 -4.249 -5.264 1.00 0.00 H new ATOM 0 HG CYS A 218 1.133 -6.892 -4.047 1.00 0.00 H new ATOM 1118 N GLN A 219 3.799 -6.011 -6.837 1.00 0.00 N ATOM 1119 CA GLN A 219 3.702 -6.783 -8.065 1.00 0.00 C ATOM 1120 C GLN A 219 4.688 -7.952 -8.035 1.00 0.00 C ATOM 1121 O GLN A 219 4.477 -8.964 -8.702 1.00 0.00 O ATOM 1122 CB GLN A 219 3.939 -5.897 -9.290 1.00 0.00 C ATOM 1123 CG GLN A 219 2.772 -6.002 -10.275 1.00 0.00 C ATOM 1124 CD GLN A 219 3.195 -5.551 -11.674 1.00 0.00 C ATOM 1125 OE1 GLN A 219 4.004 -4.654 -11.848 1.00 0.00 O ATOM 1126 NE2 GLN A 219 2.606 -6.223 -12.659 1.00 0.00 N ATOM 0 H GLN A 219 4.087 -5.041 -6.965 1.00 0.00 H new ATOM 0 HA GLN A 219 2.692 -7.186 -8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.062 -4.861 -8.976 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.865 -6.193 -9.784 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.415 -7.031 -10.313 1.00 0.00 H new ATOM 0 HG3 GLN A 219 1.941 -5.389 -9.927 1.00 0.00 H new ATOM 0 HE21 GLN A 219 1.938 -6.963 -12.443 1.00 0.00 H new ATOM 0 HE22 GLN A 219 2.823 -5.999 -13.630 1.00 0.00 H new ATOM 1135 N GLY A 220 5.744 -7.776 -7.255 1.00 0.00 N ATOM 1136 CA GLY A 220 6.762 -8.803 -7.129 1.00 0.00 C ATOM 1137 C GLY A 220 6.288 -9.939 -6.219 1.00 0.00 C ATOM 1138 O GLY A 220 6.706 -11.084 -6.379 1.00 0.00 O ATOM 0 H GLY A 220 5.916 -6.936 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 220 7.007 -9.200 -8.114 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.676 -8.366 -6.725 1.00 0.00 H new ATOM 1142 N VAL A 221 5.421 -9.580 -5.284 1.00 0.00 N ATOM 1143 CA VAL A 221 4.885 -10.554 -4.348 1.00 0.00 C ATOM 1144 C VAL A 221 4.412 -11.788 -5.117 1.00 0.00 C ATOM 1145 O VAL A 221 3.763 -11.666 -6.155 1.00 0.00 O ATOM 1146 CB VAL A 221 3.780 -9.915 -3.505 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.412 -10.099 -4.164 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.782 -10.477 -2.081 1.00 0.00 C ATOM 0 H VAL A 221 5.076 -8.629 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 221 5.658 -10.882 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 221 3.982 -8.846 -3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.644 -9.636 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.416 -9.630 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 221 2.199 -11.163 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.987 -10.006 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.617 -11.554 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.743 -10.272 -1.610 1.00 0.00 H new