USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 349 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 197 CYS SG : rot -145:sc= 0.478 USER MOD Set 1.2: A 206 CYS SG : rot 131:sc= 0.395 USER MOD Set 1.3: A 212 CYS SG : rot -176:sc= 0.232 USER MOD Set 1.4: A 216 HIS : no HE2:sc= -0.731 X(o=0.37,f=0.53) USER MOD Set 2.1: A 159 CYS SG : rot 117:sc= 0.535 USER MOD Set 2.2: A 168 CYS SG : rot 129:sc= 0.584 USER MOD Set 2.3: A 174 CYS SG : rot 128:sc= 0.746 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.495 X(o=1.4,f=0.96) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc=0.000665 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 GLN : amide:sc= 1.05 K(o=1,f=-0.00032) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 201 HIS : no HD1:sc= 0.333 K(o=0.33,f=-1.2) USER MOD Single : A 202 THR OG1 : rot 86:sc= 0.755 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 3.107 8.499 3.092 1.00 0.00 N ATOM 74 CA LYS A 155 2.099 8.330 2.001 1.00 0.00 C ATOM 75 C LYS A 155 2.023 6.842 1.570 1.00 0.00 C ATOM 76 O LYS A 155 1.687 6.550 0.427 1.00 0.00 O ATOM 77 CB LYS A 155 2.489 9.215 0.790 1.00 0.00 C ATOM 78 CG LYS A 155 2.291 10.691 1.180 1.00 0.00 C ATOM 79 CD LYS A 155 2.497 11.655 0.011 1.00 0.00 C ATOM 80 CE LYS A 155 2.043 13.060 0.417 1.00 0.00 C ATOM 81 NZ LYS A 155 2.212 14.016 -0.697 1.00 0.00 N ATOM 0 HA LYS A 155 1.120 8.637 2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.526 9.034 0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.874 8.966 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.285 10.823 1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.987 10.945 1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 155 3.548 11.671 -0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.932 11.316 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.997 13.034 0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.618 13.396 1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 1.897 14.960 -0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 3.215 14.057 -0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 1.644 13.705 -1.511 1.00 0.00 H new ATOM 95 N THR A 156 2.252 5.880 2.465 1.00 0.00 N ATOM 96 CA THR A 156 2.078 4.439 2.141 1.00 0.00 C ATOM 97 C THR A 156 0.649 3.995 2.491 1.00 0.00 C ATOM 98 O THR A 156 0.254 2.877 2.155 1.00 0.00 O ATOM 99 CB THR A 156 3.079 3.610 2.951 1.00 0.00 C ATOM 100 OG1 THR A 156 3.012 3.930 4.326 1.00 0.00 O ATOM 101 CG2 THR A 156 4.522 3.837 2.506 1.00 0.00 C ATOM 0 H THR A 156 2.558 6.059 3.421 1.00 0.00 H new ATOM 0 HA THR A 156 2.252 4.287 1.076 1.00 0.00 H new ATOM 0 HB THR A 156 2.802 2.570 2.778 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.660 3.386 4.820 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.190 3.226 3.112 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.627 3.559 1.457 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.780 4.889 2.630 1.00 0.00 H new ATOM 109 N GLU A 157 -0.167 4.831 3.147 1.00 0.00 N ATOM 110 CA GLU A 157 -1.552 4.462 3.514 1.00 0.00 C ATOM 111 C GLU A 157 -2.530 5.507 2.957 1.00 0.00 C ATOM 112 O GLU A 157 -2.179 6.687 2.845 1.00 0.00 O ATOM 113 CB GLU A 157 -1.673 4.403 5.048 1.00 0.00 C ATOM 114 CG GLU A 157 -2.990 3.784 5.535 1.00 0.00 C ATOM 115 CD GLU A 157 -3.105 3.721 7.066 1.00 0.00 C ATOM 116 OE1 GLU A 157 -2.102 3.381 7.735 1.00 0.00 O ATOM 117 OE2 GLU A 157 -4.225 3.990 7.567 1.00 0.00 O ATOM 0 H GLU A 157 0.104 5.771 3.437 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.794 3.486 3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -0.840 3.826 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.584 5.412 5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.824 4.364 5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.081 2.776 5.129 1.00 0.00 H new ATOM 124 N LEU A 158 -3.760 5.127 2.564 1.00 0.00 N ATOM 125 CA LEU A 158 -4.731 6.075 1.994 1.00 0.00 C ATOM 126 C LEU A 158 -5.084 7.151 3.027 1.00 0.00 C ATOM 127 O LEU A 158 -5.331 6.831 4.193 1.00 0.00 O ATOM 128 CB LEU A 158 -6.013 5.319 1.599 1.00 0.00 C ATOM 129 CG LEU A 158 -6.104 4.682 0.206 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.483 4.015 0.144 1.00 0.00 C ATOM 131 CD2 LEU A 158 -6.004 5.714 -0.923 1.00 0.00 C ATOM 0 H LEU A 158 -4.104 4.169 2.632 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.291 6.548 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.167 4.528 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.848 6.013 1.698 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.277 3.985 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.614 3.539 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.559 3.263 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.258 4.768 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -6.074 5.208 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.817 6.434 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.049 6.235 -0.856 1.00 0.00 H new ATOM 143 N CYS A 159 -5.253 8.415 2.627 1.00 0.00 N ATOM 144 CA CYS A 159 -5.795 9.439 3.508 1.00 0.00 C ATOM 145 C CYS A 159 -7.312 9.242 3.632 1.00 0.00 C ATOM 146 O CYS A 159 -8.058 9.568 2.699 1.00 0.00 O ATOM 147 CB CYS A 159 -5.498 10.819 2.923 1.00 0.00 C ATOM 148 SG CYS A 159 -6.045 12.169 4.008 1.00 0.00 S ATOM 0 H CYS A 159 -5.019 8.749 1.692 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.337 9.362 4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.427 10.912 2.746 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -5.991 10.913 1.955 1.00 0.00 H new ATOM 0 HG CYS A 159 -5.014 12.863 4.390 1.00 0.00 H new ATOM 153 N ARG A 160 -7.815 8.615 4.706 1.00 0.00 N ATOM 154 CA ARG A 160 -9.236 8.226 4.790 1.00 0.00 C ATOM 155 C ARG A 160 -10.130 9.494 4.856 1.00 0.00 C ATOM 156 O ARG A 160 -11.169 9.537 4.202 1.00 0.00 O ATOM 157 CB ARG A 160 -9.463 7.362 6.039 1.00 0.00 C ATOM 158 CG ARG A 160 -8.628 6.070 6.000 1.00 0.00 C ATOM 159 CD ARG A 160 -8.700 5.305 7.326 1.00 0.00 C ATOM 160 NE ARG A 160 -7.661 4.261 7.394 1.00 0.00 N ATOM 161 CZ ARG A 160 -7.712 3.030 6.915 1.00 0.00 C ATOM 162 NH1 ARG A 160 -8.774 2.534 6.337 1.00 0.00 N ATOM 163 NH2 ARG A 160 -6.663 2.260 7.009 1.00 0.00 N ATOM 0 H ARG A 160 -7.263 8.366 5.527 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.502 7.651 3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.204 7.935 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.520 7.109 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -8.985 5.431 5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -7.589 6.315 5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -8.577 5.999 8.157 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -9.685 4.850 7.434 1.00 0.00 H new ATOM 0 HE ARG A 160 -6.797 4.521 7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -9.614 3.104 6.239 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -8.762 1.577 5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -5.812 2.609 7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -6.694 1.309 6.642 1.00 0.00 H new ATOM 177 N PRO A 161 -9.744 10.573 5.591 1.00 0.00 N ATOM 178 CA PRO A 161 -10.522 11.822 5.608 1.00 0.00 C ATOM 179 C PRO A 161 -10.701 12.350 4.166 1.00 0.00 C ATOM 180 O PRO A 161 -11.798 12.782 3.799 1.00 0.00 O ATOM 181 CB PRO A 161 -9.779 12.865 6.447 1.00 0.00 C ATOM 182 CG PRO A 161 -8.913 11.984 7.343 1.00 0.00 C ATOM 183 CD PRO A 161 -8.592 10.769 6.468 1.00 0.00 C ATOM 0 HA PRO A 161 -11.504 11.632 6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -9.180 13.535 5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.462 13.488 7.024 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -8.006 12.502 7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.443 11.694 8.250 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.686 10.939 5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.416 9.885 7.081 1.00 0.00 H new ATOM 191 N PHE A 162 -9.669 12.302 3.302 1.00 0.00 N ATOM 192 CA PHE A 162 -9.790 12.769 1.911 1.00 0.00 C ATOM 193 C PHE A 162 -10.709 11.814 1.117 1.00 0.00 C ATOM 194 O PHE A 162 -11.546 12.269 0.344 1.00 0.00 O ATOM 195 CB PHE A 162 -8.397 12.801 1.260 1.00 0.00 C ATOM 196 CG PHE A 162 -8.346 13.374 -0.143 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.650 12.565 -1.254 1.00 0.00 C ATOM 198 CD2 PHE A 162 -7.976 14.718 -0.345 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.617 13.103 -2.553 1.00 0.00 C ATOM 200 CE2 PHE A 162 -7.935 15.255 -1.644 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.262 14.449 -2.749 1.00 0.00 C ATOM 0 H PHE A 162 -8.745 11.945 3.544 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.220 13.770 1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.731 13.384 1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.004 11.785 1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.910 11.527 -1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -7.723 15.339 0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.865 12.481 -3.401 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -7.652 16.287 -1.793 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.240 14.863 -3.746 1.00 0.00 H new ATOM 211 N GLU A 163 -10.599 10.494 1.282 1.00 0.00 N ATOM 212 CA GLU A 163 -11.475 9.537 0.567 1.00 0.00 C ATOM 213 C GLU A 163 -12.944 9.705 1.043 1.00 0.00 C ATOM 214 O GLU A 163 -13.872 9.455 0.271 1.00 0.00 O ATOM 215 CB GLU A 163 -11.005 8.099 0.857 1.00 0.00 C ATOM 216 CG GLU A 163 -9.657 7.737 0.216 1.00 0.00 C ATOM 217 CD GLU A 163 -9.778 7.555 -1.301 1.00 0.00 C ATOM 218 OE1 GLU A 163 -10.071 6.415 -1.735 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.588 8.556 -2.032 1.00 0.00 O ATOM 0 H GLU A 163 -9.917 10.055 1.901 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.421 9.733 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -10.930 7.964 1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -11.763 7.402 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -8.930 8.520 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.277 6.818 0.663 1.00 0.00 H new ATOM 226 N GLU A 164 -13.200 10.096 2.297 1.00 0.00 N ATOM 227 CA GLU A 164 -14.581 10.166 2.829 1.00 0.00 C ATOM 228 C GLU A 164 -15.208 11.542 2.505 1.00 0.00 C ATOM 229 O GLU A 164 -16.389 11.609 2.150 1.00 0.00 O ATOM 230 CB GLU A 164 -14.550 9.967 4.351 1.00 0.00 C ATOM 231 CG GLU A 164 -14.290 8.500 4.720 1.00 0.00 C ATOM 232 CD GLU A 164 -14.145 8.340 6.238 1.00 0.00 C ATOM 233 OE1 GLU A 164 -15.184 8.119 6.908 1.00 0.00 O ATOM 234 OE2 GLU A 164 -12.998 8.436 6.738 1.00 0.00 O ATOM 0 H GLU A 164 -12.479 10.369 2.965 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.181 9.383 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.773 10.596 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.499 10.289 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.110 7.879 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.384 8.150 4.224 1.00 0.00 H new ATOM 241 N SER A 165 -14.492 12.665 2.683 1.00 0.00 N ATOM 242 CA SER A 165 -15.115 14.017 2.595 1.00 0.00 C ATOM 243 C SER A 165 -14.457 14.834 1.464 1.00 0.00 C ATOM 244 O SER A 165 -14.944 15.916 1.122 1.00 0.00 O ATOM 245 CB SER A 165 -14.926 14.753 3.929 1.00 0.00 C ATOM 246 OG SER A 165 -15.550 14.048 4.996 1.00 0.00 O ATOM 0 H SER A 165 -13.493 12.675 2.887 1.00 0.00 H new ATOM 0 HA SER A 165 -16.178 13.905 2.381 1.00 0.00 H new ATOM 0 HB2 SER A 165 -13.862 14.867 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.346 15.756 3.857 1.00 0.00 H new ATOM 0 HG SER A 165 -15.414 14.536 5.835 1.00 0.00 H new ATOM 252 N GLY A 166 -13.343 14.381 0.873 1.00 0.00 N ATOM 253 CA GLY A 166 -12.662 15.123 -0.207 1.00 0.00 C ATOM 254 C GLY A 166 -11.766 16.221 0.395 1.00 0.00 C ATOM 255 O GLY A 166 -10.615 16.366 -0.015 1.00 0.00 O ATOM 0 H GLY A 166 -12.890 13.502 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.061 14.439 -0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.399 15.569 -0.875 1.00 0.00 H new ATOM 259 N THR A 167 -12.238 17.012 1.369 1.00 0.00 N ATOM 260 CA THR A 167 -11.412 18.079 1.974 1.00 0.00 C ATOM 261 C THR A 167 -10.380 17.460 2.934 1.00 0.00 C ATOM 262 O THR A 167 -10.654 16.423 3.555 1.00 0.00 O ATOM 263 CB THR A 167 -12.319 19.052 2.753 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.553 20.150 3.199 1.00 0.00 O ATOM 265 CG2 THR A 167 -13.055 18.469 3.963 1.00 0.00 C ATOM 0 H THR A 167 -13.179 16.938 1.756 1.00 0.00 H new ATOM 0 HA THR A 167 -10.889 18.619 1.185 1.00 0.00 H new ATOM 0 HB THR A 167 -13.093 19.330 2.038 1.00 0.00 H new ATOM 0 HG1 THR A 167 -12.128 20.771 3.693 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.661 19.246 4.430 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.700 17.653 3.638 1.00 0.00 H new ATOM 0 HG23 THR A 167 -12.329 18.093 4.684 1.00 0.00 H new ATOM 273 N CYS A 168 -9.202 18.073 3.130 1.00 0.00 N ATOM 274 CA CYS A 168 -8.222 17.595 4.114 1.00 0.00 C ATOM 275 C CYS A 168 -7.514 18.803 4.761 1.00 0.00 C ATOM 276 O CYS A 168 -6.952 19.646 4.050 1.00 0.00 O ATOM 277 CB CYS A 168 -7.188 16.703 3.415 1.00 0.00 C ATOM 278 SG CYS A 168 -6.152 15.911 4.678 1.00 0.00 S ATOM 0 H CYS A 168 -8.906 18.904 2.617 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.731 17.019 4.886 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.689 15.948 2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.572 17.297 2.739 1.00 0.00 H new ATOM 0 HG CYS A 168 -6.108 14.630 4.462 1.00 0.00 H new ATOM 283 N LYS A 169 -7.548 18.957 6.093 1.00 0.00 N ATOM 284 CA LYS A 169 -6.993 20.161 6.765 1.00 0.00 C ATOM 285 C LYS A 169 -5.463 20.180 6.635 1.00 0.00 C ATOM 286 O LYS A 169 -4.846 21.232 6.810 1.00 0.00 O ATOM 287 CB LYS A 169 -7.378 20.138 8.257 1.00 0.00 C ATOM 288 CG LYS A 169 -8.890 20.031 8.535 1.00 0.00 C ATOM 289 CD LYS A 169 -9.193 19.911 10.037 1.00 0.00 C ATOM 290 CE LYS A 169 -8.704 18.579 10.630 1.00 0.00 C ATOM 291 NZ LYS A 169 -9.068 18.469 12.059 1.00 0.00 N ATOM 0 H LYS A 169 -7.950 18.271 6.732 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.403 21.053 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.875 19.297 8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -7.000 21.045 8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.395 20.909 8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.294 19.163 8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.719 20.737 10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.267 20.004 10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.140 17.748 10.075 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.622 18.503 10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.727 17.562 12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.632 19.250 12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -10.102 18.518 12.159 1.00 0.00 H new ATOM 305 N TYR A 170 -4.805 19.058 6.345 1.00 0.00 N ATOM 306 CA TYR A 170 -3.339 19.016 6.254 1.00 0.00 C ATOM 307 C TYR A 170 -2.889 19.446 4.834 1.00 0.00 C ATOM 308 O TYR A 170 -1.753 19.887 4.658 1.00 0.00 O ATOM 309 CB TYR A 170 -2.852 17.597 6.544 1.00 0.00 C ATOM 310 CG TYR A 170 -2.922 17.267 8.023 1.00 0.00 C ATOM 311 CD1 TYR A 170 -4.156 16.956 8.633 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.757 17.352 8.808 1.00 0.00 C ATOM 313 CE1 TYR A 170 -4.231 16.769 10.026 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.833 17.176 10.201 1.00 0.00 C ATOM 315 CZ TYR A 170 -3.066 16.883 10.817 1.00 0.00 C ATOM 316 OH TYR A 170 -3.122 16.704 12.164 1.00 0.00 O ATOM 0 H TYR A 170 -5.261 18.163 6.168 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.911 19.702 6.985 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.457 16.884 5.984 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.825 17.487 6.196 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -5.046 16.861 8.029 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.804 17.552 8.340 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -5.179 16.538 10.490 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.941 17.266 10.803 1.00 0.00 H new ATOM 0 HH TYR A 170 -2.227 16.819 12.547 1.00 0.00 H new ATOM 326 N GLY A 171 -3.762 19.401 3.814 1.00 0.00 N ATOM 327 CA GLY A 171 -3.436 19.930 2.472 1.00 0.00 C ATOM 328 C GLY A 171 -2.167 19.244 1.925 1.00 0.00 C ATOM 329 O GLY A 171 -2.038 18.023 2.015 1.00 0.00 O ATOM 0 H GLY A 171 -4.699 19.005 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.272 19.761 1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -3.282 21.008 2.525 1.00 0.00 H new ATOM 333 N GLU A 172 -1.224 19.980 1.321 1.00 0.00 N ATOM 334 CA GLU A 172 -0.024 19.370 0.696 1.00 0.00 C ATOM 335 C GLU A 172 0.939 18.858 1.788 1.00 0.00 C ATOM 336 O GLU A 172 1.912 18.163 1.474 1.00 0.00 O ATOM 337 CB GLU A 172 0.695 20.422 -0.166 1.00 0.00 C ATOM 338 CG GLU A 172 -0.135 20.870 -1.375 1.00 0.00 C ATOM 339 CD GLU A 172 0.650 21.866 -2.239 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.566 23.086 -1.955 1.00 0.00 O ATOM 341 OE2 GLU A 172 1.341 21.414 -3.185 1.00 0.00 O ATOM 0 H GLU A 172 -1.261 20.997 1.248 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.335 18.532 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 172 0.929 21.290 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.643 20.013 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.411 20.002 -1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -1.062 21.330 -1.034 1.00 0.00 H new ATOM 348 N LYS A 173 0.699 19.137 3.082 1.00 0.00 N ATOM 349 CA LYS A 173 1.553 18.617 4.168 1.00 0.00 C ATOM 350 C LYS A 173 0.972 17.299 4.702 1.00 0.00 C ATOM 351 O LYS A 173 1.551 16.701 5.613 1.00 0.00 O ATOM 352 CB LYS A 173 1.618 19.646 5.313 1.00 0.00 C ATOM 353 CG LYS A 173 2.232 21.013 4.977 1.00 0.00 C ATOM 354 CD LYS A 173 3.646 20.974 4.378 1.00 0.00 C ATOM 355 CE LYS A 173 4.641 20.077 5.126 1.00 0.00 C ATOM 356 NZ LYS A 173 5.949 20.043 4.438 1.00 0.00 N ATOM 0 H LYS A 173 -0.076 19.718 3.402 1.00 0.00 H new ATOM 0 HA LYS A 173 2.556 18.439 3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 173 0.605 19.809 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.189 19.208 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 173 1.573 21.525 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 173 2.258 21.613 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 173 3.578 20.633 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 173 4.042 21.989 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 173 4.772 20.444 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 173 4.239 19.066 5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 6.603 19.429 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 5.825 19.671 3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 6.341 21.005 4.389 1.00 0.00 H new ATOM 370 N CYS A 174 -0.158 16.795 4.179 1.00 0.00 N ATOM 371 CA CYS A 174 -0.749 15.558 4.677 1.00 0.00 C ATOM 372 C CYS A 174 0.195 14.384 4.385 1.00 0.00 C ATOM 373 O CYS A 174 0.619 14.195 3.238 1.00 0.00 O ATOM 374 CB CYS A 174 -2.100 15.321 3.997 1.00 0.00 C ATOM 375 SG CYS A 174 -2.957 13.989 4.873 1.00 0.00 S ATOM 0 H CYS A 174 -0.674 17.229 3.414 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.901 15.637 5.753 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.698 16.232 4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.956 15.054 2.950 1.00 0.00 H new ATOM 0 HG CYS A 174 -4.156 14.379 5.189 1.00 0.00 H new ATOM 380 N GLN A 175 0.614 13.617 5.391 1.00 0.00 N ATOM 381 CA GLN A 175 1.607 12.561 5.211 1.00 0.00 C ATOM 382 C GLN A 175 0.931 11.287 4.652 1.00 0.00 C ATOM 383 O GLN A 175 1.554 10.229 4.620 1.00 0.00 O ATOM 384 CB GLN A 175 2.258 12.242 6.570 1.00 0.00 C ATOM 385 CG GLN A 175 2.915 13.446 7.265 1.00 0.00 C ATOM 386 CD GLN A 175 4.088 14.022 6.480 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.178 13.465 6.438 1.00 0.00 O ATOM 388 NE2 GLN A 175 3.928 15.156 5.832 1.00 0.00 N ATOM 0 H GLN A 175 0.276 13.710 6.349 1.00 0.00 H new ATOM 0 HA GLN A 175 2.367 12.898 4.506 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.499 11.827 7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 175 3.012 11.468 6.424 1.00 0.00 H new ATOM 0 HG2 GLN A 175 2.167 14.225 7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 175 3.261 13.143 8.254 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.027 15.634 5.856 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.705 15.557 5.306 1.00 0.00 H new ATOM 397 N PHE A 176 -0.344 11.334 4.230 1.00 0.00 N ATOM 398 CA PHE A 176 -1.056 10.130 3.752 1.00 0.00 C ATOM 399 C PHE A 176 -1.478 10.323 2.276 1.00 0.00 C ATOM 400 O PHE A 176 -1.389 11.436 1.745 1.00 0.00 O ATOM 401 CB PHE A 176 -2.301 9.894 4.624 1.00 0.00 C ATOM 402 CG PHE A 176 -1.967 9.427 6.040 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.460 10.322 7.007 1.00 0.00 C ATOM 404 CD2 PHE A 176 -2.122 8.070 6.383 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.095 9.861 8.288 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.775 7.610 7.666 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.267 8.506 8.620 1.00 0.00 C ATOM 0 H PHE A 176 -0.903 12.187 4.209 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.396 9.266 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.877 10.817 4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -2.937 9.150 4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.351 11.368 6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.511 7.375 5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -0.684 10.548 9.013 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -1.899 6.567 7.917 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.009 8.155 9.608 1.00 0.00 H new ATOM 417 N ALA A 177 -1.843 9.263 1.550 1.00 0.00 N ATOM 418 CA ALA A 177 -2.048 9.340 0.093 1.00 0.00 C ATOM 419 C ALA A 177 -3.434 9.948 -0.216 1.00 0.00 C ATOM 420 O ALA A 177 -4.458 9.325 0.069 1.00 0.00 O ATOM 421 CB ALA A 177 -1.967 7.928 -0.499 1.00 0.00 C ATOM 0 H ALA A 177 -2.004 8.336 1.945 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.278 9.973 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.118 7.976 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -0.986 7.501 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.739 7.301 -0.052 1.00 0.00 H new ATOM 427 N HIS A 178 -3.518 11.105 -0.893 1.00 0.00 N ATOM 428 CA HIS A 178 -4.811 11.631 -1.378 1.00 0.00 C ATOM 429 C HIS A 178 -5.197 10.922 -2.701 1.00 0.00 C ATOM 430 O HIS A 178 -6.386 10.774 -2.994 1.00 0.00 O ATOM 431 CB HIS A 178 -4.694 13.150 -1.619 1.00 0.00 C ATOM 432 CG HIS A 178 -4.545 13.981 -0.360 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.197 15.314 -0.294 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.799 13.570 0.920 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.244 15.686 1.002 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.604 14.652 1.776 1.00 0.00 N ATOM 0 H HIS A 178 -2.715 11.692 -1.117 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.581 11.443 -0.630 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.836 13.337 -2.265 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.579 13.488 -2.159 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -5.100 12.576 1.217 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.022 16.679 1.365 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.713 14.657 2.790 1.00 0.00 H new ATOM 444 N GLY A 179 -4.238 10.429 -3.501 1.00 0.00 N ATOM 445 CA GLY A 179 -4.550 9.639 -4.710 1.00 0.00 C ATOM 446 C GLY A 179 -3.691 8.369 -4.731 1.00 0.00 C ATOM 447 O GLY A 179 -2.652 8.317 -4.073 1.00 0.00 O ATOM 0 H GLY A 179 -3.240 10.562 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.607 9.375 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.360 10.233 -5.604 1.00 0.00 H new ATOM 724 N GLU A 195 2.815 -15.948 9.863 1.00 0.00 N ATOM 725 CA GLU A 195 2.377 -16.639 11.096 1.00 0.00 C ATOM 726 C GLU A 195 1.008 -16.091 11.542 1.00 0.00 C ATOM 727 O GLU A 195 0.714 -14.910 11.332 1.00 0.00 O ATOM 728 CB GLU A 195 3.411 -16.405 12.210 1.00 0.00 C ATOM 729 CG GLU A 195 4.675 -17.252 12.017 1.00 0.00 C ATOM 730 CD GLU A 195 5.693 -16.993 13.137 1.00 0.00 C ATOM 731 OE1 GLU A 195 5.401 -17.374 14.296 1.00 0.00 O ATOM 732 OE2 GLU A 195 6.767 -16.418 12.840 1.00 0.00 O ATOM 0 HA GLU A 195 2.290 -17.707 10.898 1.00 0.00 H new ATOM 0 HB2 GLU A 195 3.683 -15.350 12.234 1.00 0.00 H new ATOM 0 HB3 GLU A 195 2.962 -16.641 13.175 1.00 0.00 H new ATOM 0 HG2 GLU A 195 4.409 -18.309 12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.126 -17.022 11.052 1.00 0.00 H new ATOM 739 N LEU A 196 0.143 -16.902 12.173 1.00 0.00 N ATOM 740 CA LEU A 196 -1.174 -16.436 12.642 1.00 0.00 C ATOM 741 C LEU A 196 -0.991 -15.405 13.767 1.00 0.00 C ATOM 742 O LEU A 196 -0.206 -15.634 14.695 1.00 0.00 O ATOM 743 CB LEU A 196 -1.984 -17.636 13.173 1.00 0.00 C ATOM 744 CG LEU A 196 -2.253 -18.760 12.153 1.00 0.00 C ATOM 745 CD1 LEU A 196 -3.126 -19.836 12.800 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.956 -18.266 10.886 1.00 0.00 C ATOM 0 H LEU A 196 0.332 -17.885 12.371 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.708 -15.972 11.812 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.453 -18.062 14.025 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.941 -17.270 13.544 1.00 0.00 H new ATOM 0 HG LEU A 196 -1.280 -19.156 11.861 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -3.317 -20.631 12.080 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.612 -20.248 13.668 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -4.073 -19.396 13.114 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -3.117 -19.105 10.209 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.917 -17.825 11.151 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -2.336 -17.516 10.395 1.00 0.00 H new ATOM 758 N CYS A 197 -1.710 -14.282 13.757 1.00 0.00 N ATOM 759 CA CYS A 197 -1.627 -13.294 14.831 1.00 0.00 C ATOM 760 C CYS A 197 -2.245 -13.872 16.115 1.00 0.00 C ATOM 761 O CYS A 197 -3.432 -14.216 16.134 1.00 0.00 O ATOM 762 CB CYS A 197 -2.378 -12.028 14.418 1.00 0.00 C ATOM 763 SG CYS A 197 -2.297 -10.754 15.705 1.00 0.00 S ATOM 0 H CYS A 197 -2.360 -14.034 13.011 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.582 -13.048 15.018 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.954 -11.638 13.492 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.420 -12.273 14.213 1.00 0.00 H new ATOM 0 HG CYS A 197 -3.413 -10.088 15.727 1.00 0.00 H new ATOM 768 N ARG A 198 -1.482 -14.010 17.198 1.00 0.00 N ATOM 769 CA ARG A 198 -1.993 -14.590 18.463 1.00 0.00 C ATOM 770 C ARG A 198 -3.210 -13.802 18.944 1.00 0.00 C ATOM 771 O ARG A 198 -4.247 -14.394 19.222 1.00 0.00 O ATOM 772 CB ARG A 198 -0.888 -14.539 19.537 1.00 0.00 C ATOM 773 CG ARG A 198 0.329 -15.404 19.185 1.00 0.00 C ATOM 774 CD ARG A 198 1.504 -15.148 20.141 1.00 0.00 C ATOM 775 NE ARG A 198 2.796 -15.467 19.508 1.00 0.00 N ATOM 776 CZ ARG A 198 3.302 -16.659 19.243 1.00 0.00 C ATOM 777 NH1 ARG A 198 2.736 -17.773 19.627 1.00 0.00 N ATOM 778 NH2 ARG A 198 4.410 -16.748 18.561 1.00 0.00 N ATOM 0 H ARG A 198 -0.502 -13.730 17.236 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.285 -15.626 18.289 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.566 -13.506 19.671 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.300 -14.871 20.490 1.00 0.00 H new ATOM 0 HG2 ARG A 198 0.051 -16.457 19.225 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.640 -15.195 18.162 1.00 0.00 H new ATOM 0 HD2 ARG A 198 1.499 -14.104 20.454 1.00 0.00 H new ATOM 0 HD3 ARG A 198 1.380 -15.751 21.041 1.00 0.00 H new ATOM 0 HE ARG A 198 3.372 -14.668 19.241 1.00 0.00 H new ATOM 0 HH11 ARG A 198 1.864 -17.746 20.156 1.00 0.00 H new ATOM 0 HH12 ARG A 198 3.166 -18.669 19.398 1.00 0.00 H new ATOM 0 HH21 ARG A 198 4.879 -15.902 18.237 1.00 0.00 H new ATOM 0 HH22 ARG A 198 4.808 -17.664 18.352 1.00 0.00 H new ATOM 792 N THR A 199 -3.140 -12.475 19.078 1.00 0.00 N ATOM 793 CA THR A 199 -4.269 -11.682 19.612 1.00 0.00 C ATOM 794 C THR A 199 -5.517 -11.883 18.731 1.00 0.00 C ATOM 795 O THR A 199 -6.596 -12.150 19.255 1.00 0.00 O ATOM 796 CB THR A 199 -3.891 -10.189 19.636 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.556 -10.027 20.080 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.763 -9.424 20.632 1.00 0.00 C ATOM 0 H THR A 199 -2.320 -11.922 18.827 1.00 0.00 H new ATOM 0 HA THR A 199 -4.489 -12.017 20.626 1.00 0.00 H new ATOM 0 HB THR A 199 -4.026 -9.811 18.623 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.328 -9.074 20.089 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.478 -8.372 20.632 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.810 -9.516 20.345 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.623 -9.838 21.631 1.00 0.00 H new ATOM 806 N PHE A 200 -5.423 -11.809 17.396 1.00 0.00 N ATOM 807 CA PHE A 200 -6.607 -11.947 16.528 1.00 0.00 C ATOM 808 C PHE A 200 -7.159 -13.392 16.614 1.00 0.00 C ATOM 809 O PHE A 200 -8.372 -13.582 16.672 1.00 0.00 O ATOM 810 CB PHE A 200 -6.222 -11.624 15.079 1.00 0.00 C ATOM 811 CG PHE A 200 -7.402 -11.505 14.139 1.00 0.00 C ATOM 812 CD1 PHE A 200 -8.063 -10.271 14.003 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.846 -12.624 13.407 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.173 -10.157 13.147 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.955 -12.509 12.549 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.621 -11.277 12.422 1.00 0.00 C ATOM 0 H PHE A 200 -4.548 -11.656 16.894 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.378 -11.252 16.860 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.662 -10.689 15.063 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.554 -12.402 14.710 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.718 -9.410 14.556 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.335 -13.570 13.505 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.682 -9.210 13.046 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.295 -13.367 11.988 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.476 -11.190 11.768 1.00 0.00 H new ATOM 826 N HIS A 201 -6.322 -14.427 16.646 1.00 0.00 N ATOM 827 CA HIS A 201 -6.807 -15.832 16.674 1.00 0.00 C ATOM 828 C HIS A 201 -7.109 -16.273 18.143 1.00 0.00 C ATOM 829 O HIS A 201 -7.605 -17.382 18.357 1.00 0.00 O ATOM 830 CB HIS A 201 -5.737 -16.753 16.066 1.00 0.00 C ATOM 831 CG HIS A 201 -5.744 -16.662 14.555 1.00 0.00 C ATOM 832 ND1 HIS A 201 -6.386 -17.567 13.706 1.00 0.00 N ATOM 833 CD2 HIS A 201 -5.269 -15.623 13.807 1.00 0.00 C ATOM 834 CE1 HIS A 201 -6.283 -17.054 12.468 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.618 -15.886 12.501 1.00 0.00 N ATOM 0 H HIS A 201 -5.306 -14.334 16.654 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.726 -15.903 16.092 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.754 -16.476 16.447 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.920 -17.783 16.374 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.726 -14.763 14.169 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.678 -17.514 11.574 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.408 -15.296 11.696 1.00 0.00 H new ATOM 843 N THR A 202 -6.889 -15.427 19.163 1.00 0.00 N ATOM 844 CA THR A 202 -7.203 -15.798 20.584 1.00 0.00 C ATOM 845 C THR A 202 -8.325 -14.892 21.132 1.00 0.00 C ATOM 846 O THR A 202 -9.168 -15.361 21.899 1.00 0.00 O ATOM 847 CB THR A 202 -5.942 -15.638 21.454 1.00 0.00 C ATOM 848 OG1 THR A 202 -4.911 -16.469 20.967 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.160 -16.031 22.916 1.00 0.00 C ATOM 0 H THR A 202 -6.501 -14.491 19.050 1.00 0.00 H new ATOM 0 HA THR A 202 -7.535 -16.836 20.613 1.00 0.00 H new ATOM 0 HB THR A 202 -5.685 -14.580 21.403 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.420 -16.001 20.259 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.232 -15.894 23.472 1.00 0.00 H new ATOM 0 HG22 THR A 202 -6.939 -15.403 23.349 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.465 -17.076 22.970 1.00 0.00 H new ATOM 857 N ILE A 203 -8.400 -13.608 20.756 1.00 0.00 N ATOM 858 CA ILE A 203 -9.462 -12.699 21.266 1.00 0.00 C ATOM 859 C ILE A 203 -10.484 -12.412 20.143 1.00 0.00 C ATOM 860 O ILE A 203 -11.556 -11.864 20.409 1.00 0.00 O ATOM 861 CB ILE A 203 -8.819 -11.359 21.743 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.503 -11.595 22.530 1.00 0.00 C ATOM 863 CG2 ILE A 203 -9.811 -10.597 22.650 1.00 0.00 C ATOM 864 CD1 ILE A 203 -6.928 -10.389 23.285 1.00 0.00 C ATOM 0 H ILE A 203 -7.748 -13.168 20.106 1.00 0.00 H new ATOM 0 HA ILE A 203 -9.971 -13.174 22.104 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.587 -10.775 20.853 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.675 -12.396 23.249 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.747 -11.951 21.830 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.358 -9.662 22.980 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.722 -10.381 22.092 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.054 -11.209 23.518 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.010 -10.682 23.794 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.711 -9.587 22.579 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.654 -10.040 24.019 1.00 0.00 H new ATOM 876 N GLY A 204 -10.192 -12.739 18.872 1.00 0.00 N ATOM 877 CA GLY A 204 -11.058 -12.346 17.744 1.00 0.00 C ATOM 878 C GLY A 204 -10.751 -10.888 17.339 1.00 0.00 C ATOM 879 O GLY A 204 -11.434 -10.331 16.475 1.00 0.00 O ATOM 0 H GLY A 204 -9.366 -13.272 18.600 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.893 -13.012 16.897 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.106 -12.443 18.026 1.00 0.00 H new ATOM 883 N PHE A 205 -9.755 -10.222 17.950 1.00 0.00 N ATOM 884 CA PHE A 205 -9.456 -8.811 17.660 1.00 0.00 C ATOM 885 C PHE A 205 -7.945 -8.559 17.822 1.00 0.00 C ATOM 886 O PHE A 205 -7.257 -9.348 18.468 1.00 0.00 O ATOM 887 CB PHE A 205 -10.236 -7.915 18.642 1.00 0.00 C ATOM 888 CG PHE A 205 -9.890 -6.437 18.609 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.002 -5.714 17.407 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.396 -5.795 19.762 1.00 0.00 C ATOM 891 CE1 PHE A 205 -9.629 -4.359 17.355 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.019 -4.441 19.711 1.00 0.00 C ATOM 893 CZ PHE A 205 -9.136 -3.723 18.508 1.00 0.00 C ATOM 0 H PHE A 205 -9.143 -10.641 18.650 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.752 -8.578 16.637 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.301 -8.024 18.436 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.068 -8.285 19.653 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.376 -6.202 16.519 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.307 -6.344 20.688 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -9.721 -3.808 16.431 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -8.639 -3.953 20.596 1.00 0.00 H new ATOM 0 HZ PHE A 205 -8.847 -2.683 18.469 1.00 0.00 H new ATOM 903 N CYS A 206 -7.393 -7.451 17.306 1.00 0.00 N ATOM 904 CA CYS A 206 -5.975 -7.120 17.499 1.00 0.00 C ATOM 905 C CYS A 206 -5.813 -5.585 17.588 1.00 0.00 C ATOM 906 O CYS A 206 -6.343 -4.858 16.738 1.00 0.00 O ATOM 907 CB CYS A 206 -5.163 -7.658 16.321 1.00 0.00 C ATOM 908 SG CYS A 206 -3.402 -7.255 16.491 1.00 0.00 S ATOM 0 H CYS A 206 -7.909 -6.768 16.751 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.615 -7.574 18.422 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.286 -8.739 16.256 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.546 -7.238 15.391 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.691 -8.324 16.290 1.00 0.00 H new ATOM 913 N PRO A 207 -5.103 -5.039 18.601 1.00 0.00 N ATOM 914 CA PRO A 207 -5.004 -3.595 18.796 1.00 0.00 C ATOM 915 C PRO A 207 -4.144 -2.968 17.681 1.00 0.00 C ATOM 916 O PRO A 207 -4.168 -1.748 17.497 1.00 0.00 O ATOM 917 CB PRO A 207 -4.359 -3.323 20.155 1.00 0.00 C ATOM 918 CG PRO A 207 -3.579 -4.620 20.390 1.00 0.00 C ATOM 919 CD PRO A 207 -4.414 -5.704 19.695 1.00 0.00 C ATOM 0 HA PRO A 207 -6.000 -3.154 18.761 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.706 -2.451 20.132 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.102 -3.145 20.933 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -2.576 -4.561 19.968 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -3.466 -4.828 21.454 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -3.779 -6.508 19.324 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.125 -6.153 20.388 1.00 0.00 H new ATOM 927 N TYR A 208 -3.382 -3.753 16.898 1.00 0.00 N ATOM 928 CA TYR A 208 -2.578 -3.205 15.792 1.00 0.00 C ATOM 929 C TYR A 208 -3.456 -3.068 14.533 1.00 0.00 C ATOM 930 O TYR A 208 -3.122 -2.298 13.629 1.00 0.00 O ATOM 931 CB TYR A 208 -1.397 -4.142 15.502 1.00 0.00 C ATOM 932 CG TYR A 208 -0.325 -4.116 16.576 1.00 0.00 C ATOM 933 CD1 TYR A 208 -0.432 -4.924 17.726 1.00 0.00 C ATOM 934 CD2 TYR A 208 0.776 -3.252 16.432 1.00 0.00 C ATOM 935 CE1 TYR A 208 0.547 -4.847 18.737 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.750 -3.167 17.442 1.00 0.00 C ATOM 937 CZ TYR A 208 1.640 -3.964 18.601 1.00 0.00 C ATOM 938 OH TYR A 208 2.580 -3.889 19.583 1.00 0.00 O ATOM 0 H TYR A 208 -3.307 -4.764 17.010 1.00 0.00 H new ATOM 0 HA TYR A 208 -2.197 -2.223 16.072 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -1.769 -5.161 15.396 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -0.950 -3.865 14.547 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -1.265 -5.603 17.833 1.00 0.00 H new ATOM 0 HD2 TYR A 208 0.873 -2.651 15.540 1.00 0.00 H new ATOM 0 HE1 TYR A 208 0.461 -5.465 19.618 1.00 0.00 H new ATOM 0 HE2 TYR A 208 2.584 -2.490 17.331 1.00 0.00 H new ATOM 0 HH TYR A 208 3.264 -3.234 19.331 1.00 0.00 H new ATOM 948 N GLY A 209 -4.617 -3.733 14.455 1.00 0.00 N ATOM 949 CA GLY A 209 -5.558 -3.543 13.336 1.00 0.00 C ATOM 950 C GLY A 209 -4.850 -3.840 11.996 1.00 0.00 C ATOM 951 O GLY A 209 -4.101 -4.817 11.897 1.00 0.00 O ATOM 0 H GLY A 209 -4.930 -4.408 15.153 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.418 -4.202 13.457 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -5.937 -2.521 13.338 1.00 0.00 H new ATOM 955 N PRO A 210 -5.077 -3.048 10.928 1.00 0.00 N ATOM 956 CA PRO A 210 -4.523 -3.341 9.609 1.00 0.00 C ATOM 957 C PRO A 210 -2.993 -3.085 9.602 1.00 0.00 C ATOM 958 O PRO A 210 -2.308 -3.488 8.656 1.00 0.00 O ATOM 959 CB PRO A 210 -5.200 -2.436 8.577 1.00 0.00 C ATOM 960 CG PRO A 210 -5.700 -1.275 9.442 1.00 0.00 C ATOM 961 CD PRO A 210 -5.942 -1.880 10.834 1.00 0.00 C ATOM 0 HA PRO A 210 -4.703 -4.388 9.364 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.502 -2.101 7.810 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -6.017 -2.943 8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -4.965 -0.472 9.485 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -6.616 -0.847 9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -5.708 -1.159 11.617 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -6.988 -2.160 10.960 1.00 0.00 H new ATOM 969 N ARG A 211 -2.404 -2.445 10.637 1.00 0.00 N ATOM 970 CA ARG A 211 -0.942 -2.213 10.684 1.00 0.00 C ATOM 971 C ARG A 211 -0.233 -3.469 11.233 1.00 0.00 C ATOM 972 O ARG A 211 0.998 -3.505 11.287 1.00 0.00 O ATOM 973 CB ARG A 211 -0.632 -1.006 11.602 1.00 0.00 C ATOM 974 CG ARG A 211 -1.024 0.388 11.077 1.00 0.00 C ATOM 975 CD ARG A 211 -2.513 0.742 11.179 1.00 0.00 C ATOM 976 NE ARG A 211 -3.012 0.650 12.562 1.00 0.00 N ATOM 977 CZ ARG A 211 -4.201 1.001 13.014 1.00 0.00 C ATOM 978 NH1 ARG A 211 -5.125 1.522 12.247 1.00 0.00 N ATOM 979 NH2 ARG A 211 -4.484 0.831 14.274 1.00 0.00 N ATOM 0 H ARG A 211 -2.912 -2.083 11.444 1.00 0.00 H new ATOM 0 HA ARG A 211 -0.582 -2.004 9.677 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -1.139 -1.165 12.554 1.00 0.00 H new ATOM 0 HB3 ARG A 211 0.438 -1.002 11.808 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -0.453 1.137 11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -0.723 0.460 10.032 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -2.671 1.753 10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -3.089 0.072 10.541 1.00 0.00 H new ATOM 0 HE ARG A 211 -2.362 0.271 13.251 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -4.940 1.672 11.255 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -6.030 1.778 12.641 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -3.789 0.429 14.903 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -5.401 1.100 14.632 1.00 0.00 H new ATOM 993 N CYS A 212 -0.961 -4.519 11.669 1.00 0.00 N ATOM 994 CA CYS A 212 -0.339 -5.705 12.262 1.00 0.00 C ATOM 995 C CYS A 212 0.471 -6.463 11.188 1.00 0.00 C ATOM 996 O CYS A 212 0.041 -6.552 10.032 1.00 0.00 O ATOM 997 CB CYS A 212 -1.430 -6.621 12.827 1.00 0.00 C ATOM 998 SG CYS A 212 -0.688 -7.874 13.908 1.00 0.00 S ATOM 0 H CYS A 212 -1.979 -4.562 11.618 1.00 0.00 H new ATOM 0 HA CYS A 212 0.332 -5.399 13.065 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.158 -6.032 13.385 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.969 -7.105 12.012 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.608 -8.699 14.312 1.00 0.00 H new ATOM 1003 N HIS A 213 1.640 -7.021 11.516 1.00 0.00 N ATOM 1004 CA HIS A 213 2.483 -7.718 10.530 1.00 0.00 C ATOM 1005 C HIS A 213 2.081 -9.206 10.447 1.00 0.00 C ATOM 1006 O HIS A 213 2.690 -9.965 9.686 1.00 0.00 O ATOM 1007 CB HIS A 213 3.956 -7.615 10.957 1.00 0.00 C ATOM 1008 CG HIS A 213 4.533 -6.227 11.127 1.00 0.00 C ATOM 1009 ND1 HIS A 213 5.747 -5.954 11.761 1.00 0.00 N ATOM 1010 CD2 HIS A 213 3.991 -5.053 10.687 1.00 0.00 C ATOM 1011 CE1 HIS A 213 5.901 -4.621 11.708 1.00 0.00 C ATOM 1012 NE2 HIS A 213 4.862 -4.054 11.069 1.00 0.00 N ATOM 0 H HIS A 213 2.028 -7.005 12.459 1.00 0.00 H new ATOM 0 HA HIS A 213 2.346 -7.255 9.553 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.071 -8.146 11.902 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.559 -8.143 10.218 1.00 0.00 H new ATOM 0 HD2 HIS A 213 3.064 -4.931 10.147 1.00 0.00 H new ATOM 0 HE1 HIS A 213 6.740 -4.081 12.120 1.00 0.00 H new ATOM 0 HE2 HIS A 213 4.739 -3.056 10.896 1.00 0.00 H new ATOM 1020 N PHE A 214 1.113 -9.686 11.249 1.00 0.00 N ATOM 1021 CA PHE A 214 0.825 -11.132 11.345 1.00 0.00 C ATOM 1022 C PHE A 214 -0.542 -11.443 10.691 1.00 0.00 C ATOM 1023 O PHE A 214 -1.347 -10.533 10.471 1.00 0.00 O ATOM 1024 CB PHE A 214 0.804 -11.550 12.817 1.00 0.00 C ATOM 1025 CG PHE A 214 2.195 -11.542 13.417 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.769 -10.344 13.889 1.00 0.00 C ATOM 1027 CD2 PHE A 214 2.945 -12.730 13.438 1.00 0.00 C ATOM 1028 CE1 PHE A 214 4.089 -10.338 14.372 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.263 -12.728 13.926 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.831 -11.532 14.392 1.00 0.00 C ATOM 0 H PHE A 214 0.520 -9.100 11.837 1.00 0.00 H new ATOM 0 HA PHE A 214 1.601 -11.690 10.821 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.160 -10.873 13.379 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.374 -12.547 12.907 1.00 0.00 H new ATOM 0 HD1 PHE A 214 2.194 -9.430 13.879 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.507 -13.649 13.077 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.532 -9.419 14.727 1.00 0.00 H new ATOM 0 HE2 PHE A 214 4.836 -13.643 13.942 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.843 -11.529 14.768 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.823 -12.701 10.314 1.00 0.00 N ATOM 1041 CA ILE A 215 -2.050 -13.044 9.560 1.00 0.00 C ATOM 1042 C ILE A 215 -3.279 -12.878 10.463 1.00 0.00 C ATOM 1043 O ILE A 215 -3.414 -13.591 11.463 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.964 -14.513 9.066 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.718 -14.764 8.186 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -3.240 -14.885 8.281 1.00 0.00 C ATOM 1047 CD1 ILE A 215 -0.442 -16.249 7.911 1.00 0.00 C ATOM 0 H ILE A 215 -0.221 -13.499 10.516 1.00 0.00 H new ATOM 0 HA ILE A 215 -2.141 -12.377 8.703 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.876 -15.145 9.950 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.846 -14.246 7.236 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.153 -14.326 8.673 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -3.169 -15.918 7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -4.110 -14.776 8.928 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -3.343 -14.224 7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 215 0.447 -16.344 7.288 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -0.281 -16.770 8.855 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -1.296 -16.688 7.395 1.00 0.00 H new ATOM 1059 N HIS A 216 -4.238 -12.014 10.117 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.517 -11.943 10.831 1.00 0.00 C ATOM 1061 C HIS A 216 -6.533 -12.895 10.159 1.00 0.00 C ATOM 1062 O HIS A 216 -6.516 -14.099 10.426 1.00 0.00 O ATOM 1063 CB HIS A 216 -6.050 -10.491 10.789 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.343 -9.536 11.721 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.675 -8.213 11.923 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.323 -9.838 12.581 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -4.874 -7.736 12.892 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.052 -8.698 13.334 1.00 0.00 N ATOM 0 H HIS A 216 -4.153 -11.353 9.345 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.375 -12.243 11.869 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.963 -10.115 9.770 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -7.112 -10.500 11.036 1.00 0.00 H new ATOM 0 HD1 HIS A 216 -6.397 -7.691 11.427 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.818 -10.789 12.662 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -4.891 -6.721 13.262 1.00 0.00 H new