USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 598 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 174 ASN : amide:sc= 0.29 K(o=0.59,f=-0.29) USER MOD Set 1.2: A 178 ASN : amide:sc= 0.301 K(o=0.59,f=0) USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 81:sc= 0.153 USER MOD Single : A 140 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.91) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= -1.53! USER MOD Single : A 153 ASN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : A 154 MET CE :methyl 148:sc= -0.169 (180deg=-0.894) USER MOD Single : A 155 HIS :FLIP no HD1:sc= -0.911 F(o=-1.8,f=-0.91) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 ASN : amide:sc= -0.0357 K(o=-0.036,f=-0.82) USER MOD Single : A 160 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.64) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 177 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.013) USER MOD Single : A 179 CYS SG : rot 79:sc= 0.349 USER MOD Single : A 181 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 183 THR OG1 : rot 69:sc= 0.902 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.56) USER MOD Single : A 187 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 60:sc= 0.314 USER MOD Single : A 192 THR OG1 : rot -83:sc= 1.01 USER MOD Single : A 193 THR OG1 : rot 85:sc= 0.196 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 ASN : amide:sc=-0.00793 X(o=-0.0079,f=0) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0738 USER MOD Single : A 201 THR OG1 : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 205 MET CE :methyl 180:sc= -0.116 (180deg=-0.116) USER MOD Single : A 206 MET CE :methyl 162:sc=-0.00785 (180deg=-0.192) USER MOD Single : A 212 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 213 MET CE :methyl -146:sc= -2.44 (180deg=-7.29!) USER MOD Single : A 214 CYS SG : rot 180:sc= 0 USER MOD Single : A 216 THR OG1 : rot 75:sc= 1.16 USER MOD Single : A 217 GLN : amide:sc=-0.00234 X(o=-0.0023,f=-0.0023) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N ALA A 133 14.776 -9.716 -15.226 1.00 0.00 N ATOM 109 CA ALA A 133 15.566 -9.083 -16.274 1.00 0.00 C ATOM 110 C ALA A 133 14.784 -9.007 -17.581 1.00 0.00 C ATOM 111 O ALA A 133 13.583 -9.272 -17.613 1.00 0.00 O ATOM 112 CB ALA A 133 16.871 -9.839 -16.481 1.00 0.00 C ATOM 0 HA ALA A 133 15.794 -8.065 -15.958 1.00 0.00 H new ATOM 0 HB1 ALA A 133 17.451 -9.355 -17.267 1.00 0.00 H new ATOM 0 HB2 ALA A 133 17.444 -9.837 -15.554 1.00 0.00 H new ATOM 0 HB3 ALA A 133 16.654 -10.867 -16.771 1.00 0.00 H new ATOM 118 N MET A 134 15.473 -8.643 -18.658 1.00 0.00 N ATOM 119 CA MET A 134 14.842 -8.532 -19.968 1.00 0.00 C ATOM 120 C MET A 134 15.663 -9.257 -21.029 1.00 0.00 C ATOM 121 O MET A 134 16.893 -9.199 -21.023 1.00 0.00 O ATOM 122 CB MET A 134 14.672 -7.062 -20.353 1.00 0.00 C ATOM 123 CG MET A 134 14.125 -6.198 -19.228 1.00 0.00 C ATOM 124 SD MET A 134 12.434 -6.631 -18.778 1.00 0.00 S ATOM 125 CE MET A 134 12.037 -5.308 -17.639 1.00 0.00 C ATOM 0 H MET A 134 16.468 -8.420 -18.649 1.00 0.00 H new ATOM 0 HA MET A 134 13.859 -9.000 -19.912 1.00 0.00 H new ATOM 0 HB2 MET A 134 15.636 -6.664 -20.670 1.00 0.00 H new ATOM 0 HB3 MET A 134 14.002 -6.995 -21.210 1.00 0.00 H new ATOM 0 HG2 MET A 134 14.767 -6.299 -18.353 1.00 0.00 H new ATOM 0 HG3 MET A 134 14.160 -5.151 -19.530 1.00 0.00 H new ATOM 0 HE1 MET A 134 11.019 -5.437 -17.272 1.00 0.00 H new ATOM 0 HE2 MET A 134 12.731 -5.331 -16.799 1.00 0.00 H new ATOM 0 HE3 MET A 134 12.119 -4.350 -18.152 1.00 0.00 H new ATOM 135 N SER A 135 14.975 -9.939 -21.940 1.00 0.00 N ATOM 136 CA SER A 135 15.641 -10.678 -23.005 1.00 0.00 C ATOM 137 C SER A 135 16.371 -9.729 -23.951 1.00 0.00 C ATOM 138 O SER A 135 15.945 -8.592 -24.157 1.00 0.00 O ATOM 139 CB SER A 135 14.626 -11.514 -23.787 1.00 0.00 C ATOM 140 OG SER A 135 13.344 -11.450 -23.188 1.00 0.00 O ATOM 0 H SER A 135 13.957 -9.995 -21.961 1.00 0.00 H new ATOM 0 HA SER A 135 16.374 -11.343 -22.548 1.00 0.00 H new ATOM 0 HB2 SER A 135 14.569 -11.155 -24.815 1.00 0.00 H new ATOM 0 HB3 SER A 135 14.960 -12.551 -23.830 1.00 0.00 H new ATOM 0 HG SER A 135 12.898 -10.621 -23.458 1.00 0.00 H new ATOM 146 N ARG A 136 17.472 -10.204 -24.524 1.00 0.00 N ATOM 147 CA ARG A 136 18.262 -9.399 -25.447 1.00 0.00 C ATOM 148 C ARG A 136 18.835 -8.171 -24.744 1.00 0.00 C ATOM 149 O ARG A 136 18.384 -7.043 -24.945 1.00 0.00 O ATOM 150 CB ARG A 136 17.407 -8.964 -26.639 1.00 0.00 C ATOM 151 CG ARG A 136 16.613 -10.099 -27.264 1.00 0.00 C ATOM 152 CD ARG A 136 17.523 -11.222 -27.736 1.00 0.00 C ATOM 153 NE ARG A 136 17.704 -12.247 -26.711 1.00 0.00 N ATOM 154 CZ ARG A 136 18.623 -13.203 -26.782 1.00 0.00 C ATOM 155 NH1 ARG A 136 19.440 -13.265 -27.825 1.00 0.00 N ATOM 156 NH2 ARG A 136 18.727 -14.100 -25.810 1.00 0.00 N ATOM 0 H ARG A 136 17.837 -11.143 -24.365 1.00 0.00 H new ATOM 0 HA ARG A 136 19.090 -10.011 -25.806 1.00 0.00 H new ATOM 0 HB2 ARG A 136 16.717 -8.184 -26.316 1.00 0.00 H new ATOM 0 HB3 ARG A 136 18.054 -8.523 -27.398 1.00 0.00 H new ATOM 0 HG2 ARG A 136 15.900 -10.488 -26.538 1.00 0.00 H new ATOM 0 HG3 ARG A 136 16.035 -9.719 -28.106 1.00 0.00 H new ATOM 0 HD2 ARG A 136 17.103 -11.677 -28.633 1.00 0.00 H new ATOM 0 HD3 ARG A 136 18.494 -10.810 -28.012 1.00 0.00 H new ATOM 0 HE ARG A 136 17.091 -12.227 -25.896 1.00 0.00 H new ATOM 0 HH11 ARG A 136 19.363 -12.578 -28.575 1.00 0.00 H new ATOM 0 HH12 ARG A 136 20.145 -14.000 -27.877 1.00 0.00 H new ATOM 0 HH21 ARG A 136 18.100 -14.056 -25.006 1.00 0.00 H new ATOM 0 HH22 ARG A 136 19.434 -14.834 -25.866 1.00 0.00 H new ATOM 170 N PRO A 137 19.852 -8.394 -23.898 1.00 0.00 N ATOM 171 CA PRO A 137 20.508 -7.319 -23.148 1.00 0.00 C ATOM 172 C PRO A 137 21.328 -6.402 -24.048 1.00 0.00 C ATOM 173 O PRO A 137 21.689 -5.292 -23.655 1.00 0.00 O ATOM 174 CB PRO A 137 21.420 -8.070 -22.176 1.00 0.00 C ATOM 175 CG PRO A 137 21.687 -9.377 -22.840 1.00 0.00 C ATOM 176 CD PRO A 137 20.440 -9.713 -23.609 1.00 0.00 C ATOM 0 HA PRO A 137 19.787 -6.665 -22.658 1.00 0.00 H new ATOM 0 HB2 PRO A 137 22.344 -7.521 -21.996 1.00 0.00 H new ATOM 0 HB3 PRO A 137 20.938 -8.209 -21.208 1.00 0.00 H new ATOM 0 HG2 PRO A 137 22.549 -9.308 -23.504 1.00 0.00 H new ATOM 0 HG3 PRO A 137 21.912 -10.150 -22.105 1.00 0.00 H new ATOM 0 HD2 PRO A 137 20.667 -10.261 -24.524 1.00 0.00 H new ATOM 0 HD3 PRO A 137 19.763 -10.336 -23.024 1.00 0.00 H new ATOM 184 N ILE A 138 21.620 -6.872 -25.256 1.00 0.00 N ATOM 185 CA ILE A 138 22.397 -6.092 -26.212 1.00 0.00 C ATOM 186 C ILE A 138 21.616 -4.874 -26.691 1.00 0.00 C ATOM 187 O ILE A 138 20.421 -4.962 -26.975 1.00 0.00 O ATOM 188 CB ILE A 138 22.803 -6.940 -27.431 1.00 0.00 C ATOM 189 CG1 ILE A 138 23.807 -6.177 -28.299 1.00 0.00 C ATOM 190 CG2 ILE A 138 21.575 -7.322 -28.244 1.00 0.00 C ATOM 191 CD1 ILE A 138 25.204 -6.145 -27.720 1.00 0.00 C ATOM 0 H ILE A 138 21.330 -7.789 -25.596 1.00 0.00 H new ATOM 0 HA ILE A 138 23.297 -5.762 -25.693 1.00 0.00 H new ATOM 0 HB ILE A 138 23.278 -7.854 -27.076 1.00 0.00 H new ATOM 0 HG12 ILE A 138 23.842 -6.635 -29.287 1.00 0.00 H new ATOM 0 HG13 ILE A 138 23.455 -5.154 -28.434 1.00 0.00 H new ATOM 0 HG21 ILE A 138 21.879 -7.921 -29.102 1.00 0.00 H new ATOM 0 HG22 ILE A 138 20.892 -7.900 -27.622 1.00 0.00 H new ATOM 0 HG23 ILE A 138 21.073 -6.419 -28.591 1.00 0.00 H new ATOM 0 HD11 ILE A 138 25.862 -5.588 -28.387 1.00 0.00 H new ATOM 0 HD12 ILE A 138 25.182 -5.660 -26.744 1.00 0.00 H new ATOM 0 HD13 ILE A 138 25.576 -7.164 -27.611 1.00 0.00 H new ATOM 203 N ILE A 139 22.299 -3.738 -26.781 1.00 0.00 N ATOM 204 CA ILE A 139 21.670 -2.502 -27.229 1.00 0.00 C ATOM 205 C ILE A 139 22.332 -1.976 -28.498 1.00 0.00 C ATOM 206 O ILE A 139 23.556 -2.014 -28.634 1.00 0.00 O ATOM 207 CB ILE A 139 21.731 -1.412 -26.142 1.00 0.00 C ATOM 208 CG1 ILE A 139 20.861 -0.217 -26.537 1.00 0.00 C ATOM 209 CG2 ILE A 139 23.170 -0.974 -25.913 1.00 0.00 C ATOM 210 CD1 ILE A 139 19.725 0.047 -25.575 1.00 0.00 C ATOM 0 H ILE A 139 23.288 -3.648 -26.550 1.00 0.00 H new ATOM 0 HA ILE A 139 20.626 -2.738 -27.437 1.00 0.00 H new ATOM 0 HB ILE A 139 21.344 -1.826 -25.211 1.00 0.00 H new ATOM 0 HG12 ILE A 139 21.487 0.673 -26.600 1.00 0.00 H new ATOM 0 HG13 ILE A 139 20.451 -0.389 -27.532 1.00 0.00 H new ATOM 0 HG21 ILE A 139 23.198 -0.204 -25.142 1.00 0.00 H new ATOM 0 HG22 ILE A 139 23.764 -1.830 -25.592 1.00 0.00 H new ATOM 0 HG23 ILE A 139 23.581 -0.575 -26.840 1.00 0.00 H new ATOM 0 HD11 ILE A 139 19.151 0.908 -25.918 1.00 0.00 H new ATOM 0 HD12 ILE A 139 19.076 -0.828 -25.530 1.00 0.00 H new ATOM 0 HD13 ILE A 139 20.128 0.251 -24.583 1.00 0.00 H new ATOM 222 N HIS A 140 21.516 -1.484 -29.425 1.00 0.00 N ATOM 223 CA HIS A 140 22.023 -0.948 -30.683 1.00 0.00 C ATOM 224 C HIS A 140 22.952 0.237 -30.434 1.00 0.00 C ATOM 225 O HIS A 140 22.536 1.261 -29.891 1.00 0.00 O ATOM 226 CB HIS A 140 20.864 -0.522 -31.584 1.00 0.00 C ATOM 227 CG HIS A 140 19.858 0.347 -30.895 1.00 0.00 C ATOM 228 ND1 HIS A 140 18.746 -0.154 -30.250 1.00 0.00 N ATOM 229 CD2 HIS A 140 19.800 1.692 -30.751 1.00 0.00 C ATOM 230 CE1 HIS A 140 18.048 0.845 -29.741 1.00 0.00 C ATOM 231 NE2 HIS A 140 18.667 1.976 -30.030 1.00 0.00 N ATOM 0 H HIS A 140 20.501 -1.445 -29.329 1.00 0.00 H new ATOM 0 HA HIS A 140 22.591 -1.734 -31.181 1.00 0.00 H new ATOM 0 HB2 HIS A 140 21.263 0.012 -32.447 1.00 0.00 H new ATOM 0 HB3 HIS A 140 20.363 -1.413 -31.963 1.00 0.00 H new ATOM 0 HD2 HIS A 140 20.513 2.408 -31.132 1.00 0.00 H new ATOM 0 HE1 HIS A 140 17.128 0.753 -29.183 1.00 0.00 H new ATOM 0 HE2 HIS A 140 18.354 2.909 -29.761 1.00 0.00 H new ATOM 239 N PHE A 141 24.210 0.090 -30.834 1.00 0.00 N ATOM 240 CA PHE A 141 25.198 1.148 -30.652 1.00 0.00 C ATOM 241 C PHE A 141 25.666 1.692 -31.999 1.00 0.00 C ATOM 242 O PHE A 141 25.289 2.791 -32.402 1.00 0.00 O ATOM 243 CB PHE A 141 26.396 0.625 -29.856 1.00 0.00 C ATOM 244 CG PHE A 141 26.452 1.143 -28.448 1.00 0.00 C ATOM 245 CD1 PHE A 141 25.758 0.505 -27.433 1.00 0.00 C ATOM 246 CD2 PHE A 141 27.199 2.268 -28.139 1.00 0.00 C ATOM 247 CE1 PHE A 141 25.807 0.979 -26.135 1.00 0.00 C ATOM 248 CE2 PHE A 141 27.253 2.747 -26.843 1.00 0.00 C ATOM 249 CZ PHE A 141 26.556 2.102 -25.841 1.00 0.00 C ATOM 0 H PHE A 141 24.570 -0.750 -31.286 1.00 0.00 H new ATOM 0 HA PHE A 141 24.728 1.959 -30.096 1.00 0.00 H new ATOM 0 HB2 PHE A 141 26.359 -0.464 -29.833 1.00 0.00 H new ATOM 0 HB3 PHE A 141 27.315 0.902 -30.373 1.00 0.00 H new ATOM 0 HD1 PHE A 141 25.171 -0.373 -27.658 1.00 0.00 H new ATOM 0 HD2 PHE A 141 27.745 2.777 -28.919 1.00 0.00 H new ATOM 0 HE1 PHE A 141 25.261 0.473 -25.353 1.00 0.00 H new ATOM 0 HE2 PHE A 141 27.840 3.625 -26.615 1.00 0.00 H new ATOM 0 HZ PHE A 141 26.596 2.475 -24.828 1.00 0.00 H new ATOM 259 N GLY A 142 26.493 0.913 -32.690 1.00 0.00 N ATOM 260 CA GLY A 142 27.000 1.333 -33.983 1.00 0.00 C ATOM 261 C GLY A 142 28.485 1.634 -33.953 1.00 0.00 C ATOM 262 O GLY A 142 29.143 1.655 -34.994 1.00 0.00 O ATOM 0 H GLY A 142 26.821 -0.001 -32.377 1.00 0.00 H new ATOM 0 HA2 GLY A 142 26.806 0.551 -34.717 1.00 0.00 H new ATOM 0 HA3 GLY A 142 26.459 2.221 -34.311 1.00 0.00 H new ATOM 266 N SER A 143 29.015 1.872 -32.758 1.00 0.00 N ATOM 267 CA SER A 143 30.431 2.180 -32.597 1.00 0.00 C ATOM 268 C SER A 143 31.220 0.929 -32.218 1.00 0.00 C ATOM 269 O SER A 143 31.230 0.516 -31.059 1.00 0.00 O ATOM 270 CB SER A 143 30.622 3.259 -31.530 1.00 0.00 C ATOM 271 OG SER A 143 30.326 4.545 -32.047 1.00 0.00 O ATOM 0 H SER A 143 28.485 1.857 -31.887 1.00 0.00 H new ATOM 0 HA SER A 143 30.807 2.551 -33.550 1.00 0.00 H new ATOM 0 HB2 SER A 143 29.977 3.049 -30.677 1.00 0.00 H new ATOM 0 HB3 SER A 143 31.649 3.237 -31.166 1.00 0.00 H new ATOM 0 HG SER A 143 30.454 5.217 -31.345 1.00 0.00 H new ATOM 277 N ASP A 144 31.879 0.332 -33.205 1.00 0.00 N ATOM 278 CA ASP A 144 32.671 -0.871 -32.977 1.00 0.00 C ATOM 279 C ASP A 144 33.685 -0.649 -31.859 1.00 0.00 C ATOM 280 O ASP A 144 34.068 -1.588 -31.159 1.00 0.00 O ATOM 281 CB ASP A 144 33.392 -1.284 -34.261 1.00 0.00 C ATOM 282 CG ASP A 144 33.372 -2.784 -34.479 1.00 0.00 C ATOM 283 OD1 ASP A 144 32.300 -3.396 -34.294 1.00 0.00 O ATOM 284 OD2 ASP A 144 34.430 -3.346 -34.834 1.00 0.00 O ATOM 0 H ASP A 144 31.880 0.661 -34.170 1.00 0.00 H new ATOM 0 HA ASP A 144 31.994 -1.671 -32.677 1.00 0.00 H new ATOM 0 HB2 ASP A 144 32.924 -0.790 -35.112 1.00 0.00 H new ATOM 0 HB3 ASP A 144 34.425 -0.939 -34.221 1.00 0.00 H new ATOM 289 N TYR A 145 34.117 0.596 -31.697 1.00 0.00 N ATOM 290 CA TYR A 145 35.089 0.940 -30.666 1.00 0.00 C ATOM 291 C TYR A 145 34.452 0.898 -29.280 1.00 0.00 C ATOM 292 O TYR A 145 35.042 0.383 -28.330 1.00 0.00 O ATOM 293 CB TYR A 145 35.672 2.330 -30.929 1.00 0.00 C ATOM 294 CG TYR A 145 36.098 2.546 -32.363 1.00 0.00 C ATOM 295 CD1 TYR A 145 37.352 2.145 -32.805 1.00 0.00 C ATOM 296 CD2 TYR A 145 35.244 3.152 -33.278 1.00 0.00 C ATOM 297 CE1 TYR A 145 37.745 2.342 -34.115 1.00 0.00 C ATOM 298 CE2 TYR A 145 35.628 3.351 -34.590 1.00 0.00 C ATOM 299 CZ TYR A 145 36.880 2.945 -35.003 1.00 0.00 C ATOM 300 OH TYR A 145 37.267 3.141 -36.309 1.00 0.00 O ATOM 0 H TYR A 145 33.810 1.384 -32.266 1.00 0.00 H new ATOM 0 HA TYR A 145 35.892 0.203 -30.699 1.00 0.00 H new ATOM 0 HB2 TYR A 145 34.930 3.083 -30.662 1.00 0.00 H new ATOM 0 HB3 TYR A 145 36.531 2.484 -30.276 1.00 0.00 H new ATOM 0 HD1 TYR A 145 38.032 1.671 -32.113 1.00 0.00 H new ATOM 0 HD2 TYR A 145 34.264 3.473 -32.957 1.00 0.00 H new ATOM 0 HE1 TYR A 145 38.725 2.025 -34.441 1.00 0.00 H new ATOM 0 HE2 TYR A 145 34.952 3.822 -35.288 1.00 0.00 H new ATOM 0 HH TYR A 145 36.542 3.577 -36.803 1.00 0.00 H new ATOM 310 N GLU A 146 33.244 1.442 -29.174 1.00 0.00 N ATOM 311 CA GLU A 146 32.526 1.466 -27.905 1.00 0.00 C ATOM 312 C GLU A 146 32.034 0.071 -27.532 1.00 0.00 C ATOM 313 O GLU A 146 31.957 -0.277 -26.353 1.00 0.00 O ATOM 314 CB GLU A 146 31.343 2.434 -27.981 1.00 0.00 C ATOM 315 CG GLU A 146 31.755 3.887 -28.146 1.00 0.00 C ATOM 316 CD GLU A 146 31.003 4.816 -27.213 1.00 0.00 C ATOM 317 OE1 GLU A 146 31.210 4.719 -25.985 1.00 0.00 O ATOM 318 OE2 GLU A 146 30.207 5.639 -27.711 1.00 0.00 O ATOM 0 H GLU A 146 32.742 1.872 -29.951 1.00 0.00 H new ATOM 0 HA GLU A 146 33.216 1.807 -27.133 1.00 0.00 H new ATOM 0 HB2 GLU A 146 30.704 2.149 -28.817 1.00 0.00 H new ATOM 0 HB3 GLU A 146 30.745 2.335 -27.075 1.00 0.00 H new ATOM 0 HG2 GLU A 146 32.825 3.981 -27.961 1.00 0.00 H new ATOM 0 HG3 GLU A 146 31.582 4.195 -29.177 1.00 0.00 H new ATOM 325 N ASP A 147 31.701 -0.723 -28.544 1.00 0.00 N ATOM 326 CA ASP A 147 31.216 -2.080 -28.323 1.00 0.00 C ATOM 327 C ASP A 147 32.214 -2.886 -27.497 1.00 0.00 C ATOM 328 O ASP A 147 31.829 -3.763 -26.723 1.00 0.00 O ATOM 329 CB ASP A 147 30.962 -2.777 -29.660 1.00 0.00 C ATOM 330 CG ASP A 147 29.508 -2.702 -30.085 1.00 0.00 C ATOM 331 OD1 ASP A 147 29.068 -1.611 -30.502 1.00 0.00 O ATOM 332 OD2 ASP A 147 28.811 -3.735 -29.999 1.00 0.00 O ATOM 0 H ASP A 147 31.758 -0.450 -29.525 1.00 0.00 H new ATOM 0 HA ASP A 147 30.279 -2.019 -27.770 1.00 0.00 H new ATOM 0 HB2 ASP A 147 31.586 -2.321 -30.429 1.00 0.00 H new ATOM 0 HB3 ASP A 147 31.262 -3.822 -29.584 1.00 0.00 H new ATOM 337 N ARG A 148 33.497 -2.583 -27.668 1.00 0.00 N ATOM 338 CA ARG A 148 34.550 -3.281 -26.940 1.00 0.00 C ATOM 339 C ARG A 148 34.389 -3.089 -25.435 1.00 0.00 C ATOM 340 O ARG A 148 34.395 -4.055 -24.671 1.00 0.00 O ATOM 341 CB ARG A 148 35.925 -2.781 -27.385 1.00 0.00 C ATOM 342 CG ARG A 148 36.176 -2.937 -28.876 1.00 0.00 C ATOM 343 CD ARG A 148 36.374 -4.396 -29.257 1.00 0.00 C ATOM 344 NE ARG A 148 37.501 -4.999 -28.550 1.00 0.00 N ATOM 345 CZ ARG A 148 37.787 -6.296 -28.592 1.00 0.00 C ATOM 346 NH1 ARG A 148 37.033 -7.121 -29.306 1.00 0.00 N ATOM 347 NH2 ARG A 148 38.829 -6.769 -27.921 1.00 0.00 N ATOM 0 H ARG A 148 33.832 -1.859 -28.304 1.00 0.00 H new ATOM 0 HA ARG A 148 34.468 -4.345 -27.164 1.00 0.00 H new ATOM 0 HB2 ARG A 148 36.024 -1.729 -27.116 1.00 0.00 H new ATOM 0 HB3 ARG A 148 36.695 -3.324 -26.837 1.00 0.00 H new ATOM 0 HG2 ARG A 148 35.334 -2.525 -29.433 1.00 0.00 H new ATOM 0 HG3 ARG A 148 37.058 -2.363 -29.160 1.00 0.00 H new ATOM 0 HD2 ARG A 148 35.465 -4.955 -29.034 1.00 0.00 H new ATOM 0 HD3 ARG A 148 36.539 -4.471 -30.332 1.00 0.00 H new ATOM 0 HE ARG A 148 38.102 -4.391 -27.993 1.00 0.00 H new ATOM 0 HH11 ARG A 148 36.232 -6.760 -29.824 1.00 0.00 H new ATOM 0 HH12 ARG A 148 37.254 -8.116 -29.337 1.00 0.00 H new ATOM 0 HH21 ARG A 148 39.412 -6.137 -27.372 1.00 0.00 H new ATOM 0 HH22 ARG A 148 39.047 -7.765 -27.954 1.00 0.00 H new ATOM 361 N TYR A 149 34.248 -1.836 -25.016 1.00 0.00 N ATOM 362 CA TYR A 149 34.089 -1.517 -23.602 1.00 0.00 C ATOM 363 C TYR A 149 32.686 -1.870 -23.118 1.00 0.00 C ATOM 364 O TYR A 149 32.498 -2.288 -21.975 1.00 0.00 O ATOM 365 CB TYR A 149 34.367 -0.033 -23.359 1.00 0.00 C ATOM 366 CG TYR A 149 34.996 0.253 -22.014 1.00 0.00 C ATOM 367 CD1 TYR A 149 36.290 -0.165 -21.727 1.00 0.00 C ATOM 368 CD2 TYR A 149 34.297 0.940 -21.029 1.00 0.00 C ATOM 369 CE1 TYR A 149 36.869 0.094 -20.500 1.00 0.00 C ATOM 370 CE2 TYR A 149 34.868 1.204 -19.800 1.00 0.00 C ATOM 371 CZ TYR A 149 36.154 0.779 -19.540 1.00 0.00 C ATOM 372 OH TYR A 149 36.726 1.039 -18.315 1.00 0.00 O ATOM 0 H TYR A 149 34.241 -1.025 -25.635 1.00 0.00 H new ATOM 0 HA TYR A 149 34.808 -2.112 -23.038 1.00 0.00 H new ATOM 0 HB2 TYR A 149 35.025 0.338 -24.145 1.00 0.00 H new ATOM 0 HB3 TYR A 149 33.432 0.521 -23.438 1.00 0.00 H new ATOM 0 HD1 TYR A 149 36.853 -0.702 -22.476 1.00 0.00 H new ATOM 0 HD2 TYR A 149 33.289 1.273 -21.228 1.00 0.00 H new ATOM 0 HE1 TYR A 149 37.876 -0.238 -20.294 1.00 0.00 H new ATOM 0 HE2 TYR A 149 34.311 1.740 -19.046 1.00 0.00 H new ATOM 0 HH TYR A 149 36.090 1.531 -17.755 1.00 0.00 H new ATOM 382 N TYR A 150 31.704 -1.698 -23.996 1.00 0.00 N ATOM 383 CA TYR A 150 30.317 -1.995 -23.659 1.00 0.00 C ATOM 384 C TYR A 150 30.107 -3.498 -23.496 1.00 0.00 C ATOM 385 O TYR A 150 29.205 -3.935 -22.781 1.00 0.00 O ATOM 386 CB TYR A 150 29.380 -1.453 -24.740 1.00 0.00 C ATOM 387 CG TYR A 150 27.944 -1.895 -24.573 1.00 0.00 C ATOM 388 CD1 TYR A 150 27.486 -3.069 -25.157 1.00 0.00 C ATOM 389 CD2 TYR A 150 27.045 -1.138 -23.832 1.00 0.00 C ATOM 390 CE1 TYR A 150 26.174 -3.476 -25.008 1.00 0.00 C ATOM 391 CE2 TYR A 150 25.732 -1.538 -23.676 1.00 0.00 C ATOM 392 CZ TYR A 150 25.301 -2.707 -24.267 1.00 0.00 C ATOM 393 OH TYR A 150 23.994 -3.110 -24.115 1.00 0.00 O ATOM 0 H TYR A 150 31.843 -1.354 -24.946 1.00 0.00 H new ATOM 0 HA TYR A 150 30.087 -1.508 -22.711 1.00 0.00 H new ATOM 0 HB2 TYR A 150 29.420 -0.364 -24.731 1.00 0.00 H new ATOM 0 HB3 TYR A 150 29.740 -1.777 -25.717 1.00 0.00 H new ATOM 0 HD1 TYR A 150 28.167 -3.674 -25.737 1.00 0.00 H new ATOM 0 HD2 TYR A 150 27.379 -0.221 -23.370 1.00 0.00 H new ATOM 0 HE1 TYR A 150 25.834 -4.391 -25.469 1.00 0.00 H new ATOM 0 HE2 TYR A 150 25.047 -0.939 -23.095 1.00 0.00 H new ATOM 0 HH TYR A 150 23.512 -2.458 -23.564 1.00 0.00 H new ATOM 403 N ARG A 151 30.947 -4.282 -24.163 1.00 0.00 N ATOM 404 CA ARG A 151 30.854 -5.735 -24.093 1.00 0.00 C ATOM 405 C ARG A 151 31.341 -6.247 -22.740 1.00 0.00 C ATOM 406 O ARG A 151 30.869 -7.270 -22.247 1.00 0.00 O ATOM 407 CB ARG A 151 31.672 -6.375 -25.217 1.00 0.00 C ATOM 408 CG ARG A 151 31.637 -7.894 -25.207 1.00 0.00 C ATOM 409 CD ARG A 151 31.156 -8.449 -26.538 1.00 0.00 C ATOM 410 NE ARG A 151 32.233 -8.523 -27.521 1.00 0.00 N ATOM 411 CZ ARG A 151 32.178 -9.272 -28.617 1.00 0.00 C ATOM 412 NH1 ARG A 151 31.103 -10.007 -28.869 1.00 0.00 N ATOM 413 NH2 ARG A 151 33.199 -9.287 -29.464 1.00 0.00 N ATOM 0 H ARG A 151 31.700 -3.936 -24.758 1.00 0.00 H new ATOM 0 HA ARG A 151 29.807 -6.013 -24.212 1.00 0.00 H new ATOM 0 HB2 ARG A 151 31.297 -6.018 -26.176 1.00 0.00 H new ATOM 0 HB3 ARG A 151 32.707 -6.043 -25.136 1.00 0.00 H new ATOM 0 HG2 ARG A 151 32.633 -8.280 -24.989 1.00 0.00 H new ATOM 0 HG3 ARG A 151 30.979 -8.239 -24.409 1.00 0.00 H new ATOM 0 HD2 ARG A 151 30.735 -9.443 -26.386 1.00 0.00 H new ATOM 0 HD3 ARG A 151 30.355 -7.820 -26.925 1.00 0.00 H new ATOM 0 HE ARG A 151 33.074 -7.969 -27.357 1.00 0.00 H new ATOM 0 HH11 ARG A 151 30.316 -9.998 -28.221 1.00 0.00 H new ATOM 0 HH12 ARG A 151 31.064 -10.581 -29.711 1.00 0.00 H new ATOM 0 HH21 ARG A 151 34.027 -8.723 -29.274 1.00 0.00 H new ATOM 0 HH22 ARG A 151 33.156 -9.862 -30.305 1.00 0.00 H new ATOM 427 N GLU A 152 32.289 -5.528 -22.148 1.00 0.00 N ATOM 428 CA GLU A 152 32.841 -5.910 -20.854 1.00 0.00 C ATOM 429 C GLU A 152 32.070 -5.248 -19.716 1.00 0.00 C ATOM 430 O GLU A 152 32.174 -5.657 -18.561 1.00 0.00 O ATOM 431 CB GLU A 152 34.321 -5.528 -20.772 1.00 0.00 C ATOM 432 CG GLU A 152 35.180 -6.191 -21.835 1.00 0.00 C ATOM 433 CD GLU A 152 36.212 -7.134 -21.246 1.00 0.00 C ATOM 434 OE1 GLU A 152 35.823 -8.023 -20.460 1.00 0.00 O ATOM 435 OE2 GLU A 152 37.408 -6.982 -21.572 1.00 0.00 O ATOM 0 H GLU A 152 32.691 -4.678 -22.544 1.00 0.00 H new ATOM 0 HA GLU A 152 32.746 -6.991 -20.753 1.00 0.00 H new ATOM 0 HB2 GLU A 152 34.414 -4.446 -20.864 1.00 0.00 H new ATOM 0 HB3 GLU A 152 34.703 -5.798 -19.788 1.00 0.00 H new ATOM 0 HG2 GLU A 152 34.539 -6.743 -22.523 1.00 0.00 H new ATOM 0 HG3 GLU A 152 35.687 -5.423 -22.419 1.00 0.00 H new ATOM 442 N ASN A 153 31.295 -4.222 -20.053 1.00 0.00 N ATOM 443 CA ASN A 153 30.506 -3.501 -19.060 1.00 0.00 C ATOM 444 C ASN A 153 29.067 -4.006 -19.039 1.00 0.00 C ATOM 445 O ASN A 153 28.379 -3.907 -18.023 1.00 0.00 O ATOM 446 CB ASN A 153 30.528 -2.000 -19.353 1.00 0.00 C ATOM 447 CG ASN A 153 31.724 -1.306 -18.729 1.00 0.00 C ATOM 448 OD1 ASN A 153 31.586 -0.271 -18.078 1.00 0.00 O ATOM 449 ND2 ASN A 153 32.908 -1.876 -18.927 1.00 0.00 N ATOM 0 H ASN A 153 31.196 -3.871 -21.006 1.00 0.00 H new ATOM 0 HA ASN A 153 30.949 -3.679 -18.080 1.00 0.00 H new ATOM 0 HB2 ASN A 153 30.543 -1.843 -20.432 1.00 0.00 H new ATOM 0 HB3 ASN A 153 29.611 -1.546 -18.977 1.00 0.00 H new ATOM 0 HD21 ASN A 153 33.749 -1.455 -18.532 1.00 0.00 H new ATOM 0 HD22 ASN A 153 32.976 -2.734 -19.474 1.00 0.00 H new ATOM 456 N MET A 154 28.618 -4.546 -20.167 1.00 0.00 N ATOM 457 CA MET A 154 27.261 -5.068 -20.277 1.00 0.00 C ATOM 458 C MET A 154 26.960 -6.044 -19.144 1.00 0.00 C ATOM 459 O MET A 154 25.811 -6.186 -18.723 1.00 0.00 O ATOM 460 CB MET A 154 27.066 -5.760 -21.627 1.00 0.00 C ATOM 461 CG MET A 154 28.042 -6.899 -21.873 1.00 0.00 C ATOM 462 SD MET A 154 27.217 -8.434 -22.335 1.00 0.00 S ATOM 463 CE MET A 154 26.210 -7.878 -23.707 1.00 0.00 C ATOM 0 H MET A 154 29.174 -4.634 -21.018 1.00 0.00 H new ATOM 0 HA MET A 154 26.569 -4.229 -20.203 1.00 0.00 H new ATOM 0 HB2 MET A 154 26.048 -6.146 -21.684 1.00 0.00 H new ATOM 0 HB3 MET A 154 27.173 -5.023 -22.423 1.00 0.00 H new ATOM 0 HG2 MET A 154 28.737 -6.613 -22.663 1.00 0.00 H new ATOM 0 HG3 MET A 154 28.634 -7.066 -20.973 1.00 0.00 H new ATOM 0 HE1 MET A 154 26.100 -8.687 -24.429 1.00 0.00 H new ATOM 0 HE2 MET A 154 25.227 -7.582 -23.340 1.00 0.00 H new ATOM 0 HE3 MET A 154 26.689 -7.026 -24.188 1.00 0.00 H new ATOM 473 N HIS A 155 27.998 -6.714 -18.655 1.00 0.00 N ATOM 474 CA HIS A 155 27.844 -7.677 -17.570 1.00 0.00 C ATOM 475 C HIS A 155 27.151 -7.037 -16.370 1.00 0.00 C ATOM 476 O HIS A 155 26.502 -7.721 -15.579 1.00 0.00 O ATOM 477 CB HIS A 155 29.208 -8.227 -17.151 1.00 0.00 C ATOM 478 CG HIS A 155 29.969 -7.314 -16.240 1.00 0.00 C ATOM 479 ND1 HIS A 155 30.316 -6.013 -16.379 1.00 0.00 N flip ATOM 480 CD2 HIS A 155 30.469 -7.714 -15.019 1.00 0.00 C flip ATOM 481 CE1 HIS A 155 31.011 -5.654 -15.250 1.00 0.00 C flip ATOM 482 NE2 HIS A 155 31.089 -6.699 -14.445 1.00 0.00 N flip ATOM 0 H HIS A 155 28.955 -6.608 -18.992 1.00 0.00 H new ATOM 0 HA HIS A 155 27.224 -8.498 -17.931 1.00 0.00 H new ATOM 0 HB2 HIS A 155 29.066 -9.187 -16.654 1.00 0.00 H new ATOM 0 HB3 HIS A 155 29.804 -8.415 -18.044 1.00 0.00 H new ATOM 0 HD2 HIS A 155 30.369 -8.703 -14.598 1.00 0.00 H new ATOM 0 HE1 HIS A 155 31.426 -4.677 -15.052 1.00 0.00 H new ATOM 0 HE2 HIS A 155 31.550 -6.718 -13.535 1.00 0.00 H new ATOM 490 N ARG A 156 27.293 -5.722 -16.243 1.00 0.00 N ATOM 491 CA ARG A 156 26.682 -4.991 -15.139 1.00 0.00 C ATOM 492 C ARG A 156 25.606 -4.036 -15.649 1.00 0.00 C ATOM 493 O ARG A 156 25.146 -3.157 -14.920 1.00 0.00 O ATOM 494 CB ARG A 156 27.746 -4.211 -14.365 1.00 0.00 C ATOM 495 CG ARG A 156 27.546 -4.239 -12.859 1.00 0.00 C ATOM 496 CD ARG A 156 26.999 -2.917 -12.344 1.00 0.00 C ATOM 497 NE ARG A 156 27.917 -1.809 -12.596 1.00 0.00 N ATOM 498 CZ ARG A 156 28.981 -1.550 -11.844 1.00 0.00 C ATOM 499 NH1 ARG A 156 29.259 -2.316 -10.798 1.00 0.00 N ATOM 500 NH2 ARG A 156 29.769 -0.524 -12.138 1.00 0.00 N ATOM 0 H ARG A 156 27.825 -5.141 -16.890 1.00 0.00 H new ATOM 0 HA ARG A 156 26.215 -5.715 -14.471 1.00 0.00 H new ATOM 0 HB2 ARG A 156 28.728 -4.621 -14.600 1.00 0.00 H new ATOM 0 HB3 ARG A 156 27.744 -3.175 -14.704 1.00 0.00 H new ATOM 0 HG2 ARG A 156 26.860 -5.044 -12.597 1.00 0.00 H new ATOM 0 HG3 ARG A 156 28.495 -4.457 -12.369 1.00 0.00 H new ATOM 0 HD2 ARG A 156 26.041 -2.710 -12.822 1.00 0.00 H new ATOM 0 HD3 ARG A 156 26.811 -2.995 -11.273 1.00 0.00 H new ATOM 0 HE ARG A 156 27.731 -1.201 -13.393 1.00 0.00 H new ATOM 0 HH11 ARG A 156 28.655 -3.106 -10.570 1.00 0.00 H new ATOM 0 HH12 ARG A 156 30.076 -2.115 -10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 156 29.558 0.067 -12.942 1.00 0.00 H new ATOM 0 HH22 ARG A 156 30.586 -0.326 -11.560 1.00 0.00 H new ATOM 514 N TYR A 157 25.209 -4.216 -16.904 1.00 0.00 N ATOM 515 CA TYR A 157 24.190 -3.369 -17.512 1.00 0.00 C ATOM 516 C TYR A 157 22.947 -3.294 -16.630 1.00 0.00 C ATOM 517 O TYR A 157 22.663 -4.190 -15.836 1.00 0.00 O ATOM 518 CB TYR A 157 23.815 -3.901 -18.896 1.00 0.00 C ATOM 519 CG TYR A 157 22.801 -5.021 -18.860 1.00 0.00 C ATOM 520 CD1 TYR A 157 22.998 -6.138 -18.057 1.00 0.00 C ATOM 521 CD2 TYR A 157 21.645 -4.964 -19.630 1.00 0.00 C ATOM 522 CE1 TYR A 157 22.074 -7.165 -18.021 1.00 0.00 C ATOM 523 CE2 TYR A 157 20.716 -5.986 -19.599 1.00 0.00 C ATOM 524 CZ TYR A 157 20.935 -7.084 -18.794 1.00 0.00 C ATOM 525 OH TYR A 157 20.011 -8.103 -18.762 1.00 0.00 O ATOM 0 H TYR A 157 25.577 -4.941 -17.520 1.00 0.00 H new ATOM 0 HA TYR A 157 24.602 -2.365 -17.615 1.00 0.00 H new ATOM 0 HB2 TYR A 157 23.418 -3.082 -19.495 1.00 0.00 H new ATOM 0 HB3 TYR A 157 24.716 -4.254 -19.397 1.00 0.00 H new ATOM 0 HD1 TYR A 157 23.889 -6.205 -17.450 1.00 0.00 H new ATOM 0 HD2 TYR A 157 21.470 -4.107 -20.263 1.00 0.00 H new ATOM 0 HE1 TYR A 157 22.243 -8.026 -17.391 1.00 0.00 H new ATOM 0 HE2 TYR A 157 19.822 -5.925 -20.202 1.00 0.00 H new ATOM 0 HH TYR A 157 19.267 -7.889 -19.363 1.00 0.00 H new ATOM 535 N PRO A 158 22.188 -2.197 -16.773 1.00 0.00 N ATOM 536 CA PRO A 158 20.962 -1.977 -16.000 1.00 0.00 C ATOM 537 C PRO A 158 19.841 -2.927 -16.407 1.00 0.00 C ATOM 538 O PRO A 158 19.547 -3.083 -17.592 1.00 0.00 O ATOM 539 CB PRO A 158 20.587 -0.532 -16.334 1.00 0.00 C ATOM 540 CG PRO A 158 21.199 -0.280 -17.669 1.00 0.00 C ATOM 541 CD PRO A 158 22.466 -1.089 -17.702 1.00 0.00 C ATOM 0 HA PRO A 158 21.113 -2.157 -14.936 1.00 0.00 H new ATOM 0 HB2 PRO A 158 19.505 -0.400 -16.363 1.00 0.00 H new ATOM 0 HB3 PRO A 158 20.972 0.160 -15.585 1.00 0.00 H new ATOM 0 HG2 PRO A 158 20.524 -0.579 -18.471 1.00 0.00 H new ATOM 0 HG3 PRO A 158 21.409 0.780 -17.808 1.00 0.00 H new ATOM 0 HD2 PRO A 158 22.685 -1.452 -18.706 1.00 0.00 H new ATOM 0 HD3 PRO A 158 23.326 -0.502 -17.381 1.00 0.00 H new ATOM 549 N ASN A 159 19.218 -3.559 -15.418 1.00 0.00 N ATOM 550 CA ASN A 159 18.129 -4.495 -15.674 1.00 0.00 C ATOM 551 C ASN A 159 16.981 -4.274 -14.694 1.00 0.00 C ATOM 552 O ASN A 159 16.218 -5.194 -14.400 1.00 0.00 O ATOM 553 CB ASN A 159 18.632 -5.936 -15.572 1.00 0.00 C ATOM 554 CG ASN A 159 18.932 -6.344 -14.143 1.00 0.00 C ATOM 555 OD1 ASN A 159 19.753 -5.722 -13.468 1.00 0.00 O ATOM 556 ND2 ASN A 159 18.267 -7.394 -13.675 1.00 0.00 N ATOM 0 H ASN A 159 19.449 -3.440 -14.432 1.00 0.00 H new ATOM 0 HA ASN A 159 17.760 -4.317 -16.684 1.00 0.00 H new ATOM 0 HB2 ASN A 159 17.884 -6.610 -15.990 1.00 0.00 H new ATOM 0 HB3 ASN A 159 19.533 -6.047 -16.175 1.00 0.00 H new ATOM 0 HD21 ASN A 159 18.428 -7.715 -12.720 1.00 0.00 H new ATOM 0 HD22 ASN A 159 17.596 -7.879 -14.270 1.00 0.00 H new ATOM 563 N GLN A 160 16.865 -3.049 -14.193 1.00 0.00 N ATOM 564 CA GLN A 160 15.810 -2.708 -13.246 1.00 0.00 C ATOM 565 C GLN A 160 15.293 -1.295 -13.493 1.00 0.00 C ATOM 566 O GLN A 160 16.060 -0.390 -13.819 1.00 0.00 O ATOM 567 CB GLN A 160 16.324 -2.832 -11.811 1.00 0.00 C ATOM 568 CG GLN A 160 16.516 -4.270 -11.355 1.00 0.00 C ATOM 569 CD GLN A 160 15.239 -5.083 -11.435 1.00 0.00 C ATOM 570 OE1 GLN A 160 14.146 -4.568 -11.195 1.00 0.00 O ATOM 571 NE2 GLN A 160 15.370 -6.360 -11.774 1.00 0.00 N ATOM 0 H GLN A 160 17.488 -2.276 -14.427 1.00 0.00 H new ATOM 0 HA GLN A 160 14.986 -3.407 -13.391 1.00 0.00 H new ATOM 0 HB2 GLN A 160 17.273 -2.303 -11.727 1.00 0.00 H new ATOM 0 HB3 GLN A 160 15.623 -2.337 -11.139 1.00 0.00 H new ATOM 0 HG2 GLN A 160 17.282 -4.743 -11.969 1.00 0.00 H new ATOM 0 HG3 GLN A 160 16.882 -4.276 -10.328 1.00 0.00 H new ATOM 0 HE21 GLN A 160 16.295 -6.745 -11.964 1.00 0.00 H new ATOM 0 HE22 GLN A 160 14.545 -6.956 -11.844 1.00 0.00 H new ATOM 580 N VAL A 161 13.985 -1.112 -13.335 1.00 0.00 N ATOM 581 CA VAL A 161 13.365 0.191 -13.540 1.00 0.00 C ATOM 582 C VAL A 161 12.309 0.471 -12.476 1.00 0.00 C ATOM 583 O VAL A 161 11.890 -0.431 -11.750 1.00 0.00 O ATOM 584 CB VAL A 161 12.714 0.290 -14.932 1.00 0.00 C ATOM 585 CG1 VAL A 161 13.772 0.218 -16.023 1.00 0.00 C ATOM 586 CG2 VAL A 161 11.675 -0.806 -15.113 1.00 0.00 C ATOM 0 H VAL A 161 13.335 -1.850 -13.066 1.00 0.00 H new ATOM 0 HA VAL A 161 14.159 0.934 -13.465 1.00 0.00 H new ATOM 0 HB VAL A 161 12.210 1.253 -15.011 1.00 0.00 H new ATOM 0 HG11 VAL A 161 13.293 0.290 -17.000 1.00 0.00 H new ATOM 0 HG12 VAL A 161 14.475 1.042 -15.903 1.00 0.00 H new ATOM 0 HG13 VAL A 161 14.306 -0.729 -15.950 1.00 0.00 H new ATOM 0 HG21 VAL A 161 11.225 -0.721 -16.102 1.00 0.00 H new ATOM 0 HG22 VAL A 161 12.153 -1.781 -15.014 1.00 0.00 H new ATOM 0 HG23 VAL A 161 10.901 -0.703 -14.352 1.00 0.00 H new ATOM 596 N TYR A 162 11.882 1.725 -12.391 1.00 0.00 N ATOM 597 CA TYR A 162 10.875 2.125 -11.414 1.00 0.00 C ATOM 598 C TYR A 162 10.002 3.250 -11.961 1.00 0.00 C ATOM 599 O TYR A 162 10.507 4.251 -12.470 1.00 0.00 O ATOM 600 CB TYR A 162 11.545 2.570 -10.113 1.00 0.00 C ATOM 601 CG TYR A 162 12.552 1.577 -9.580 1.00 0.00 C ATOM 602 CD1 TYR A 162 12.140 0.415 -8.940 1.00 0.00 C ATOM 603 CD2 TYR A 162 13.917 1.800 -9.717 1.00 0.00 C ATOM 604 CE1 TYR A 162 13.057 -0.495 -8.450 1.00 0.00 C ATOM 605 CE2 TYR A 162 14.841 0.895 -9.232 1.00 0.00 C ATOM 606 CZ TYR A 162 14.406 -0.251 -8.599 1.00 0.00 C ATOM 607 OH TYR A 162 15.322 -1.156 -8.114 1.00 0.00 O ATOM 0 H TYR A 162 12.217 2.483 -12.986 1.00 0.00 H new ATOM 0 HA TYR A 162 10.240 1.263 -11.211 1.00 0.00 H new ATOM 0 HB2 TYR A 162 12.042 3.526 -10.279 1.00 0.00 H new ATOM 0 HB3 TYR A 162 10.777 2.737 -9.358 1.00 0.00 H new ATOM 0 HD1 TYR A 162 11.084 0.219 -8.823 1.00 0.00 H new ATOM 0 HD2 TYR A 162 14.261 2.696 -10.211 1.00 0.00 H new ATOM 0 HE1 TYR A 162 12.719 -1.392 -7.953 1.00 0.00 H new ATOM 0 HE2 TYR A 162 15.898 1.084 -9.348 1.00 0.00 H new ATOM 0 HH TYR A 162 16.229 -0.836 -8.301 1.00 0.00 H new ATOM 797 N ASN A 174 7.639 11.768 -23.424 1.00 0.00 N ATOM 798 CA ASN A 174 8.327 12.447 -22.332 1.00 0.00 C ATOM 799 C ASN A 174 8.399 11.555 -21.096 1.00 0.00 C ATOM 800 O ASN A 174 9.409 11.532 -20.392 1.00 0.00 O ATOM 801 CB ASN A 174 7.615 13.757 -21.989 1.00 0.00 C ATOM 802 CG ASN A 174 8.488 14.694 -21.176 1.00 0.00 C ATOM 803 OD1 ASN A 174 8.620 14.539 -19.961 1.00 0.00 O ATOM 804 ND2 ASN A 174 9.088 15.672 -21.844 1.00 0.00 N ATOM 0 HA ASN A 174 9.343 12.668 -22.658 1.00 0.00 H new ATOM 0 HB2 ASN A 174 7.312 14.255 -22.910 1.00 0.00 H new ATOM 0 HB3 ASN A 174 6.705 13.537 -21.431 1.00 0.00 H new ATOM 0 HD21 ASN A 174 9.687 16.334 -21.351 1.00 0.00 H new ATOM 0 HD22 ASN A 174 8.950 15.762 -22.851 1.00 0.00 H new ATOM 811 N PHE A 175 7.321 10.822 -20.839 1.00 0.00 N ATOM 812 CA PHE A 175 7.260 9.929 -19.688 1.00 0.00 C ATOM 813 C PHE A 175 8.372 8.885 -19.751 1.00 0.00 C ATOM 814 O PHE A 175 9.000 8.569 -18.740 1.00 0.00 O ATOM 815 CB PHE A 175 5.898 9.236 -19.624 1.00 0.00 C ATOM 816 CG PHE A 175 5.569 8.683 -18.266 1.00 0.00 C ATOM 817 CD1 PHE A 175 5.558 9.507 -17.153 1.00 0.00 C ATOM 818 CD2 PHE A 175 5.272 7.340 -18.104 1.00 0.00 C ATOM 819 CE1 PHE A 175 5.255 9.002 -15.902 1.00 0.00 C ATOM 820 CE2 PHE A 175 4.969 6.829 -16.856 1.00 0.00 C ATOM 821 CZ PHE A 175 4.962 7.661 -15.754 1.00 0.00 C ATOM 0 H PHE A 175 6.478 10.829 -21.412 1.00 0.00 H new ATOM 0 HA PHE A 175 7.397 10.528 -18.788 1.00 0.00 H new ATOM 0 HB2 PHE A 175 5.124 9.946 -19.915 1.00 0.00 H new ATOM 0 HB3 PHE A 175 5.877 8.425 -20.352 1.00 0.00 H new ATOM 0 HD1 PHE A 175 5.789 10.556 -17.263 1.00 0.00 H new ATOM 0 HD2 PHE A 175 5.277 6.685 -18.962 1.00 0.00 H new ATOM 0 HE1 PHE A 175 5.248 9.655 -15.042 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.738 5.780 -16.743 1.00 0.00 H new ATOM 0 HZ PHE A 175 4.728 7.263 -14.778 1.00 0.00 H new ATOM 831 N VAL A 176 8.609 8.353 -20.946 1.00 0.00 N ATOM 832 CA VAL A 176 9.644 7.345 -21.142 1.00 0.00 C ATOM 833 C VAL A 176 11.026 7.909 -20.831 1.00 0.00 C ATOM 834 O VAL A 176 11.802 7.306 -20.090 1.00 0.00 O ATOM 835 CB VAL A 176 9.634 6.804 -22.584 1.00 0.00 C ATOM 836 CG1 VAL A 176 10.641 5.674 -22.737 1.00 0.00 C ATOM 837 CG2 VAL A 176 8.238 6.342 -22.970 1.00 0.00 C ATOM 0 H VAL A 176 8.098 8.603 -21.793 1.00 0.00 H new ATOM 0 HA VAL A 176 9.425 6.528 -20.454 1.00 0.00 H new ATOM 0 HB VAL A 176 9.924 7.610 -23.258 1.00 0.00 H new ATOM 0 HG11 VAL A 176 10.620 5.304 -23.762 1.00 0.00 H new ATOM 0 HG12 VAL A 176 11.640 6.043 -22.505 1.00 0.00 H new ATOM 0 HG13 VAL A 176 10.386 4.864 -22.054 1.00 0.00 H new ATOM 0 HG21 VAL A 176 8.250 5.963 -23.992 1.00 0.00 H new ATOM 0 HG22 VAL A 176 7.917 5.550 -22.293 1.00 0.00 H new ATOM 0 HG23 VAL A 176 7.545 7.181 -22.902 1.00 0.00 H new ATOM 847 N HIS A 177 11.327 9.071 -21.403 1.00 0.00 N ATOM 848 CA HIS A 177 12.616 9.718 -21.186 1.00 0.00 C ATOM 849 C HIS A 177 12.821 10.041 -19.709 1.00 0.00 C ATOM 850 O HIS A 177 13.900 9.824 -19.161 1.00 0.00 O ATOM 851 CB HIS A 177 12.715 10.997 -22.018 1.00 0.00 C ATOM 852 CG HIS A 177 12.602 10.762 -23.493 1.00 0.00 C ATOM 853 ND1 HIS A 177 12.631 11.782 -24.422 1.00 0.00 N ATOM 854 CD2 HIS A 177 12.462 9.616 -24.199 1.00 0.00 C ATOM 855 CE1 HIS A 177 12.511 11.272 -25.635 1.00 0.00 C ATOM 856 NE2 HIS A 177 12.408 9.960 -25.528 1.00 0.00 N ATOM 0 H HIS A 177 10.696 9.583 -22.020 1.00 0.00 H new ATOM 0 HA HIS A 177 13.398 9.027 -21.500 1.00 0.00 H new ATOM 0 HB2 HIS A 177 11.929 11.685 -21.707 1.00 0.00 H new ATOM 0 HB3 HIS A 177 13.667 11.485 -21.808 1.00 0.00 H new ATOM 0 HD2 HIS A 177 12.404 8.617 -23.793 1.00 0.00 H new ATOM 0 HE1 HIS A 177 12.499 11.833 -26.558 1.00 0.00 H new ATOM 0 HE2 HIS A 177 12.305 9.308 -26.306 1.00 0.00 H new ATOM 864 N ASN A 178 11.777 10.561 -19.072 1.00 0.00 N ATOM 865 CA ASN A 178 11.842 10.914 -17.659 1.00 0.00 C ATOM 866 C ASN A 178 12.134 9.685 -16.803 1.00 0.00 C ATOM 867 O ASN A 178 12.985 9.721 -15.914 1.00 0.00 O ATOM 868 CB ASN A 178 10.530 11.561 -17.212 1.00 0.00 C ATOM 869 CG ASN A 178 10.698 13.026 -16.857 1.00 0.00 C ATOM 870 OD1 ASN A 178 11.172 13.362 -15.772 1.00 0.00 O ATOM 871 ND2 ASN A 178 10.308 13.904 -17.773 1.00 0.00 N ATOM 0 H ASN A 178 10.876 10.747 -19.512 1.00 0.00 H new ATOM 0 HA ASN A 178 12.655 11.628 -17.526 1.00 0.00 H new ATOM 0 HB2 ASN A 178 9.792 11.465 -18.008 1.00 0.00 H new ATOM 0 HB3 ASN A 178 10.139 11.023 -16.348 1.00 0.00 H new ATOM 0 HD21 ASN A 178 10.396 14.904 -17.591 1.00 0.00 H new ATOM 0 HD22 ASN A 178 9.921 13.579 -18.659 1.00 0.00 H new ATOM 878 N CYS A 179 11.422 8.597 -17.078 1.00 0.00 N ATOM 879 CA CYS A 179 11.604 7.356 -16.336 1.00 0.00 C ATOM 880 C CYS A 179 13.040 6.855 -16.456 1.00 0.00 C ATOM 881 O CYS A 179 13.571 6.232 -15.536 1.00 0.00 O ATOM 882 CB CYS A 179 10.635 6.287 -16.844 1.00 0.00 C ATOM 883 SG CYS A 179 8.903 6.556 -16.348 1.00 0.00 S ATOM 0 H CYS A 179 10.713 8.550 -17.810 1.00 0.00 H new ATOM 0 HA CYS A 179 11.395 7.557 -15.285 1.00 0.00 H new ATOM 0 HB2 CYS A 179 10.689 6.251 -17.932 1.00 0.00 H new ATOM 0 HB3 CYS A 179 10.960 5.314 -16.477 1.00 0.00 H new ATOM 0 HG CYS A 179 8.368 7.460 -17.114 1.00 0.00 H new ATOM 888 N VAL A 180 13.664 7.132 -17.596 1.00 0.00 N ATOM 889 CA VAL A 180 15.040 6.712 -17.837 1.00 0.00 C ATOM 890 C VAL A 180 16.002 7.404 -16.878 1.00 0.00 C ATOM 891 O VAL A 180 16.980 6.810 -16.428 1.00 0.00 O ATOM 892 CB VAL A 180 15.472 7.009 -19.285 1.00 0.00 C ATOM 893 CG1 VAL A 180 16.907 6.562 -19.516 1.00 0.00 C ATOM 894 CG2 VAL A 180 14.530 6.336 -20.271 1.00 0.00 C ATOM 0 H VAL A 180 13.239 7.646 -18.368 1.00 0.00 H new ATOM 0 HA VAL A 180 15.077 5.636 -17.669 1.00 0.00 H new ATOM 0 HB VAL A 180 15.421 8.086 -19.447 1.00 0.00 H new ATOM 0 HG11 VAL A 180 17.195 6.780 -20.544 1.00 0.00 H new ATOM 0 HG12 VAL A 180 17.569 7.095 -18.833 1.00 0.00 H new ATOM 0 HG13 VAL A 180 16.988 5.490 -19.336 1.00 0.00 H new ATOM 0 HG21 VAL A 180 14.851 6.557 -21.289 1.00 0.00 H new ATOM 0 HG22 VAL A 180 14.546 5.258 -20.111 1.00 0.00 H new ATOM 0 HG23 VAL A 180 13.517 6.710 -20.120 1.00 0.00 H new ATOM 904 N ASN A 181 15.716 8.665 -16.570 1.00 0.00 N ATOM 905 CA ASN A 181 16.557 9.440 -15.664 1.00 0.00 C ATOM 906 C ASN A 181 16.375 8.975 -14.222 1.00 0.00 C ATOM 907 O ASN A 181 17.341 8.873 -13.466 1.00 0.00 O ATOM 908 CB ASN A 181 16.226 10.929 -15.777 1.00 0.00 C ATOM 909 CG ASN A 181 17.416 11.812 -15.453 1.00 0.00 C ATOM 910 OD1 ASN A 181 17.779 11.981 -14.289 1.00 0.00 O ATOM 911 ND2 ASN A 181 18.030 12.379 -16.485 1.00 0.00 N ATOM 0 H ASN A 181 14.909 9.172 -16.934 1.00 0.00 H new ATOM 0 HA ASN A 181 17.597 9.283 -15.949 1.00 0.00 H new ATOM 0 HB2 ASN A 181 15.881 11.146 -16.788 1.00 0.00 H new ATOM 0 HB3 ASN A 181 15.405 11.168 -15.101 1.00 0.00 H new ATOM 0 HD21 ASN A 181 18.837 12.983 -16.329 1.00 0.00 H new ATOM 0 HD22 ASN A 181 17.694 12.211 -17.433 1.00 0.00 H new ATOM 918 N ILE A 182 15.131 8.693 -13.849 1.00 0.00 N ATOM 919 CA ILE A 182 14.823 8.238 -12.500 1.00 0.00 C ATOM 920 C ILE A 182 15.535 6.926 -12.186 1.00 0.00 C ATOM 921 O ILE A 182 16.028 6.723 -11.076 1.00 0.00 O ATOM 922 CB ILE A 182 13.308 8.046 -12.302 1.00 0.00 C ATOM 923 CG1 ILE A 182 12.566 9.354 -12.584 1.00 0.00 C ATOM 924 CG2 ILE A 182 13.016 7.558 -10.891 1.00 0.00 C ATOM 925 CD1 ILE A 182 12.979 10.491 -11.676 1.00 0.00 C ATOM 0 H ILE A 182 14.320 8.772 -14.463 1.00 0.00 H new ATOM 0 HA ILE A 182 15.175 9.012 -11.819 1.00 0.00 H new ATOM 0 HB ILE A 182 12.957 7.292 -13.006 1.00 0.00 H new ATOM 0 HG12 ILE A 182 12.741 9.645 -13.620 1.00 0.00 H new ATOM 0 HG13 ILE A 182 11.495 9.185 -12.477 1.00 0.00 H new ATOM 0 HG21 ILE A 182 11.941 7.427 -10.766 1.00 0.00 H new ATOM 0 HG22 ILE A 182 13.519 6.606 -10.724 1.00 0.00 H new ATOM 0 HG23 ILE A 182 13.378 8.291 -10.170 1.00 0.00 H new ATOM 0 HD11 ILE A 182 12.413 11.386 -11.933 1.00 0.00 H new ATOM 0 HD12 ILE A 182 12.779 10.220 -10.639 1.00 0.00 H new ATOM 0 HD13 ILE A 182 14.044 10.687 -11.800 1.00 0.00 H new ATOM 937 N THR A 183 15.588 6.037 -13.174 1.00 0.00 N ATOM 938 CA THR A 183 16.241 4.745 -13.005 1.00 0.00 C ATOM 939 C THR A 183 17.702 4.915 -12.604 1.00 0.00 C ATOM 940 O THR A 183 18.160 4.321 -11.628 1.00 0.00 O ATOM 941 CB THR A 183 16.168 3.906 -14.295 1.00 0.00 C ATOM 942 OG1 THR A 183 14.839 3.940 -14.827 1.00 0.00 O ATOM 943 CG2 THR A 183 16.576 2.465 -14.027 1.00 0.00 C ATOM 0 H THR A 183 15.186 6.189 -14.099 1.00 0.00 H new ATOM 0 HA THR A 183 15.708 4.223 -12.210 1.00 0.00 H new ATOM 0 HB THR A 183 16.860 4.334 -15.020 1.00 0.00 H new ATOM 0 HG1 THR A 183 14.642 4.841 -15.157 1.00 0.00 H new ATOM 0 HG21 THR A 183 16.517 1.892 -14.952 1.00 0.00 H new ATOM 0 HG22 THR A 183 17.598 2.440 -13.650 1.00 0.00 H new ATOM 0 HG23 THR A 183 15.906 2.029 -13.286 1.00 0.00 H new ATOM 951 N ILE A 184 18.428 5.728 -13.364 1.00 0.00 N ATOM 952 CA ILE A 184 19.837 5.977 -13.086 1.00 0.00 C ATOM 953 C ILE A 184 20.014 6.713 -11.762 1.00 0.00 C ATOM 954 O ILE A 184 21.008 6.523 -11.061 1.00 0.00 O ATOM 955 CB ILE A 184 20.496 6.798 -14.210 1.00 0.00 C ATOM 956 CG1 ILE A 184 20.359 6.071 -15.549 1.00 0.00 C ATOM 957 CG2 ILE A 184 21.961 7.055 -13.888 1.00 0.00 C ATOM 958 CD1 ILE A 184 21.042 4.722 -15.578 1.00 0.00 C ATOM 0 H ILE A 184 18.064 6.225 -14.177 1.00 0.00 H new ATOM 0 HA ILE A 184 20.324 5.004 -13.026 1.00 0.00 H new ATOM 0 HB ILE A 184 19.987 7.759 -14.286 1.00 0.00 H new ATOM 0 HG12 ILE A 184 19.301 5.938 -15.774 1.00 0.00 H new ATOM 0 HG13 ILE A 184 20.776 6.697 -16.337 1.00 0.00 H new ATOM 0 HG21 ILE A 184 22.414 7.636 -14.691 1.00 0.00 H new ATOM 0 HG22 ILE A 184 22.036 7.609 -12.952 1.00 0.00 H new ATOM 0 HG23 ILE A 184 22.484 6.104 -13.789 1.00 0.00 H new ATOM 0 HD11 ILE A 184 20.903 4.265 -16.558 1.00 0.00 H new ATOM 0 HD12 ILE A 184 22.107 4.849 -15.385 1.00 0.00 H new ATOM 0 HD13 ILE A 184 20.609 4.078 -14.813 1.00 0.00 H new ATOM 970 N LYS A 185 19.043 7.555 -11.425 1.00 0.00 N ATOM 971 CA LYS A 185 19.089 8.320 -10.184 1.00 0.00 C ATOM 972 C LYS A 185 19.325 7.402 -8.989 1.00 0.00 C ATOM 973 O LYS A 185 20.358 7.486 -8.325 1.00 0.00 O ATOM 974 CB LYS A 185 17.786 9.099 -9.993 1.00 0.00 C ATOM 975 CG LYS A 185 17.926 10.302 -9.076 1.00 0.00 C ATOM 976 CD LYS A 185 17.653 9.934 -7.628 1.00 0.00 C ATOM 977 CE LYS A 185 18.876 10.168 -6.754 1.00 0.00 C ATOM 978 NZ LYS A 185 18.950 9.192 -5.631 1.00 0.00 N ATOM 0 H LYS A 185 18.214 7.725 -11.994 1.00 0.00 H new ATOM 0 HA LYS A 185 19.919 9.023 -10.249 1.00 0.00 H new ATOM 0 HB2 LYS A 185 17.427 9.434 -10.966 1.00 0.00 H new ATOM 0 HB3 LYS A 185 17.028 8.429 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 185 18.932 10.713 -9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 185 17.234 11.083 -9.391 1.00 0.00 H new ATOM 0 HD2 LYS A 185 16.818 10.525 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 185 17.356 8.887 -7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 185 19.777 10.091 -7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 185 18.848 11.181 -6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 19.797 9.385 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 18.102 9.283 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 19.003 8.226 -6.013 1.00 0.00 H new ATOM 992 N GLN A 186 18.361 6.526 -8.721 1.00 0.00 N ATOM 993 CA GLN A 186 18.466 5.593 -7.606 1.00 0.00 C ATOM 994 C GLN A 186 19.688 4.695 -7.760 1.00 0.00 C ATOM 995 O GLN A 186 20.233 4.195 -6.775 1.00 0.00 O ATOM 996 CB GLN A 186 17.200 4.740 -7.507 1.00 0.00 C ATOM 997 CG GLN A 186 15.967 5.526 -7.094 1.00 0.00 C ATOM 998 CD GLN A 186 16.189 6.341 -5.835 1.00 0.00 C ATOM 999 OE1 GLN A 186 16.837 5.885 -4.892 1.00 0.00 O ATOM 1000 NE2 GLN A 186 15.653 7.556 -5.814 1.00 0.00 N ATOM 0 H GLN A 186 17.499 6.443 -9.261 1.00 0.00 H new ATOM 0 HA GLN A 186 18.578 6.172 -6.690 1.00 0.00 H new ATOM 0 HB2 GLN A 186 17.014 4.268 -8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 186 17.367 3.939 -6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 186 15.676 6.192 -7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 186 15.138 4.837 -6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 186 15.124 7.894 -6.618 1.00 0.00 H new ATOM 0 HE22 GLN A 186 15.771 8.151 -4.994 1.00 0.00 H new ATOM 1009 N HIS A 187 20.115 4.493 -9.003 1.00 0.00 N ATOM 1010 CA HIS A 187 21.275 3.654 -9.286 1.00 0.00 C ATOM 1011 C HIS A 187 22.482 4.102 -8.468 1.00 0.00 C ATOM 1012 O HIS A 187 23.353 3.298 -8.135 1.00 0.00 O ATOM 1013 CB HIS A 187 21.610 3.698 -10.777 1.00 0.00 C ATOM 1014 CG HIS A 187 22.161 2.409 -11.305 1.00 0.00 C ATOM 1015 ND1 HIS A 187 23.468 2.265 -11.722 1.00 0.00 N ATOM 1016 CD2 HIS A 187 21.576 1.202 -11.481 1.00 0.00 C ATOM 1017 CE1 HIS A 187 23.662 1.024 -12.133 1.00 0.00 C ATOM 1018 NE2 HIS A 187 22.529 0.358 -11.997 1.00 0.00 N ATOM 0 H HIS A 187 19.676 4.898 -9.830 1.00 0.00 H new ATOM 0 HA HIS A 187 21.029 2.630 -9.006 1.00 0.00 H new ATOM 0 HB2 HIS A 187 20.710 3.955 -11.336 1.00 0.00 H new ATOM 0 HB3 HIS A 187 22.334 4.493 -10.955 1.00 0.00 H new ATOM 0 HD2 HIS A 187 20.550 0.949 -11.257 1.00 0.00 H new ATOM 0 HE1 HIS A 187 24.589 0.623 -12.515 1.00 0.00 H new ATOM 0 HE2 HIS A 187 22.385 -0.623 -12.236 1.00 0.00 H new ATOM 1026 N THR A 188 22.529 5.392 -8.148 1.00 0.00 N ATOM 1027 CA THR A 188 23.629 5.947 -7.371 1.00 0.00 C ATOM 1028 C THR A 188 23.807 5.197 -6.055 1.00 0.00 C ATOM 1029 O THR A 188 24.917 5.093 -5.533 1.00 0.00 O ATOM 1030 CB THR A 188 23.408 7.441 -7.071 1.00 0.00 C ATOM 1031 OG1 THR A 188 24.592 8.007 -6.498 1.00 0.00 O ATOM 1032 CG2 THR A 188 22.236 7.634 -6.120 1.00 0.00 C ATOM 0 H THR A 188 21.817 6.072 -8.416 1.00 0.00 H new ATOM 0 HA THR A 188 24.530 5.835 -7.975 1.00 0.00 H new ATOM 0 HB THR A 188 23.182 7.947 -8.009 1.00 0.00 H new ATOM 0 HG1 THR A 188 24.443 8.958 -6.312 1.00 0.00 H new ATOM 0 HG21 THR A 188 22.099 8.697 -5.923 1.00 0.00 H new ATOM 0 HG22 THR A 188 21.330 7.229 -6.572 1.00 0.00 H new ATOM 0 HG23 THR A 188 22.438 7.114 -5.183 1.00 0.00 H new ATOM 1040 N VAL A 189 22.706 4.675 -5.524 1.00 0.00 N ATOM 1041 CA VAL A 189 22.741 3.933 -4.269 1.00 0.00 C ATOM 1042 C VAL A 189 23.528 2.636 -4.420 1.00 0.00 C ATOM 1043 O VAL A 189 24.317 2.270 -3.548 1.00 0.00 O ATOM 1044 CB VAL A 189 21.321 3.604 -3.772 1.00 0.00 C ATOM 1045 CG1 VAL A 189 21.378 2.850 -2.453 1.00 0.00 C ATOM 1046 CG2 VAL A 189 20.497 4.875 -3.634 1.00 0.00 C ATOM 0 H VAL A 189 21.779 4.752 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 189 23.235 4.572 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 189 20.837 2.963 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 189 20.365 2.626 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 189 21.929 1.919 -2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 189 21.881 3.463 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 189 19.497 4.624 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 189 20.976 5.543 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 189 20.427 5.370 -4.603 1.00 0.00 H new ATOM 1056 N THR A 190 23.309 1.943 -5.533 1.00 0.00 N ATOM 1057 CA THR A 190 23.997 0.685 -5.799 1.00 0.00 C ATOM 1058 C THR A 190 25.448 0.926 -6.196 1.00 0.00 C ATOM 1059 O THR A 190 26.306 0.062 -6.010 1.00 0.00 O ATOM 1060 CB THR A 190 23.296 -0.114 -6.914 1.00 0.00 C ATOM 1061 OG1 THR A 190 21.950 -0.415 -6.529 1.00 0.00 O ATOM 1062 CG2 THR A 190 24.046 -1.404 -7.208 1.00 0.00 C ATOM 0 H THR A 190 22.660 2.232 -6.265 1.00 0.00 H new ATOM 0 HA THR A 190 23.968 0.107 -4.875 1.00 0.00 H new ATOM 0 HB THR A 190 23.287 0.496 -7.817 1.00 0.00 H new ATOM 0 HG1 THR A 190 21.511 -0.921 -7.244 1.00 0.00 H new ATOM 0 HG21 THR A 190 23.532 -1.951 -7.998 1.00 0.00 H new ATOM 0 HG22 THR A 190 25.061 -1.170 -7.529 1.00 0.00 H new ATOM 0 HG23 THR A 190 24.083 -2.017 -6.307 1.00 0.00 H new ATOM 1070 N THR A 191 25.719 2.107 -6.745 1.00 0.00 N ATOM 1071 CA THR A 191 27.067 2.461 -7.170 1.00 0.00 C ATOM 1072 C THR A 191 28.063 2.302 -6.027 1.00 0.00 C ATOM 1073 O THR A 191 29.252 2.074 -6.253 1.00 0.00 O ATOM 1074 CB THR A 191 27.129 3.909 -7.693 1.00 0.00 C ATOM 1075 OG1 THR A 191 26.216 4.075 -8.783 1.00 0.00 O ATOM 1076 CG2 THR A 191 28.538 4.260 -8.147 1.00 0.00 C ATOM 0 H THR A 191 25.022 2.834 -6.905 1.00 0.00 H new ATOM 0 HA THR A 191 27.333 1.779 -7.978 1.00 0.00 H new ATOM 0 HB THR A 191 26.849 4.579 -6.880 1.00 0.00 H new ATOM 0 HG1 THR A 191 25.305 3.881 -8.479 1.00 0.00 H new ATOM 0 HG21 THR A 191 28.557 5.287 -8.512 1.00 0.00 H new ATOM 0 HG22 THR A 191 29.226 4.160 -7.308 1.00 0.00 H new ATOM 0 HG23 THR A 191 28.841 3.585 -8.947 1.00 0.00 H new ATOM 1084 N THR A 192 27.571 2.424 -4.798 1.00 0.00 N ATOM 1085 CA THR A 192 28.418 2.295 -3.619 1.00 0.00 C ATOM 1086 C THR A 192 29.005 0.891 -3.515 1.00 0.00 C ATOM 1087 O THR A 192 30.072 0.694 -2.932 1.00 0.00 O ATOM 1088 CB THR A 192 27.638 2.610 -2.329 1.00 0.00 C ATOM 1089 OG1 THR A 192 26.646 1.603 -2.099 1.00 0.00 O ATOM 1090 CG2 THR A 192 26.972 3.975 -2.420 1.00 0.00 C ATOM 0 H THR A 192 26.590 2.612 -4.593 1.00 0.00 H new ATOM 0 HA THR A 192 29.227 3.017 -3.730 1.00 0.00 H new ATOM 0 HB THR A 192 28.342 2.622 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 192 25.843 1.809 -2.622 1.00 0.00 H new ATOM 0 HG21 THR A 192 26.427 4.176 -1.498 1.00 0.00 H new ATOM 0 HG22 THR A 192 27.733 4.742 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 192 26.279 3.986 -3.261 1.00 0.00 H new ATOM 1098 N THR A 193 28.301 -0.083 -4.084 1.00 0.00 N ATOM 1099 CA THR A 193 28.752 -1.468 -4.055 1.00 0.00 C ATOM 1100 C THR A 193 30.135 -1.610 -4.681 1.00 0.00 C ATOM 1101 O THR A 193 30.954 -2.409 -4.227 1.00 0.00 O ATOM 1102 CB THR A 193 27.769 -2.395 -4.794 1.00 0.00 C ATOM 1103 OG1 THR A 193 26.466 -2.296 -4.207 1.00 0.00 O ATOM 1104 CG2 THR A 193 28.244 -3.839 -4.745 1.00 0.00 C ATOM 0 H THR A 193 27.416 0.062 -4.570 1.00 0.00 H new ATOM 0 HA THR A 193 28.799 -1.762 -3.007 1.00 0.00 H new ATOM 0 HB THR A 193 27.723 -2.080 -5.837 1.00 0.00 H new ATOM 0 HG1 THR A 193 25.990 -1.532 -4.594 1.00 0.00 H new ATOM 0 HG21 THR A 193 27.533 -4.474 -5.274 1.00 0.00 H new ATOM 0 HG22 THR A 193 29.222 -3.916 -5.219 1.00 0.00 H new ATOM 0 HG23 THR A 193 28.317 -4.163 -3.707 1.00 0.00 H new ATOM 1112 N LYS A 194 30.389 -0.830 -5.726 1.00 0.00 N ATOM 1113 CA LYS A 194 31.674 -0.866 -6.414 1.00 0.00 C ATOM 1114 C LYS A 194 32.623 0.186 -5.850 1.00 0.00 C ATOM 1115 O LYS A 194 33.823 0.162 -6.120 1.00 0.00 O ATOM 1116 CB LYS A 194 31.478 -0.640 -7.915 1.00 0.00 C ATOM 1117 CG LYS A 194 32.662 -1.086 -8.756 1.00 0.00 C ATOM 1118 CD LYS A 194 32.621 -2.580 -9.028 1.00 0.00 C ATOM 1119 CE LYS A 194 33.543 -2.963 -10.175 1.00 0.00 C ATOM 1120 NZ LYS A 194 32.826 -2.983 -11.480 1.00 0.00 N ATOM 0 H LYS A 194 29.721 -0.165 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 194 32.116 -1.850 -6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 194 30.588 -1.177 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 194 31.294 0.419 -8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 194 32.663 -0.543 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 194 33.590 -0.834 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 194 32.912 -3.123 -8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 194 31.600 -2.880 -9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 194 34.371 -2.256 -10.227 1.00 0.00 H new ATOM 0 HE3 LYS A 194 33.974 -3.946 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 33.489 -3.248 -12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 32.051 -3.676 -11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 32.437 -2.039 -11.677 1.00 0.00 H new ATOM 1134 N GLY A 195 32.077 1.108 -5.063 1.00 0.00 N ATOM 1135 CA GLY A 195 32.891 2.155 -4.472 1.00 0.00 C ATOM 1136 C GLY A 195 33.577 3.014 -5.515 1.00 0.00 C ATOM 1137 O GLY A 195 34.634 3.589 -5.257 1.00 0.00 O ATOM 0 H GLY A 195 31.086 1.149 -4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 195 32.264 2.786 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 195 33.643 1.704 -3.825 1.00 0.00 H new ATOM 1141 N GLU A 196 32.977 3.099 -6.698 1.00 0.00 N ATOM 1142 CA GLU A 196 33.540 3.893 -7.785 1.00 0.00 C ATOM 1143 C GLU A 196 32.519 4.897 -8.311 1.00 0.00 C ATOM 1144 O GLU A 196 31.375 4.930 -7.859 1.00 0.00 O ATOM 1145 CB GLU A 196 34.008 2.981 -8.921 1.00 0.00 C ATOM 1146 CG GLU A 196 35.346 2.313 -8.654 1.00 0.00 C ATOM 1147 CD GLU A 196 35.670 1.231 -9.666 1.00 0.00 C ATOM 1148 OE1 GLU A 196 35.798 1.558 -10.864 1.00 0.00 O ATOM 1149 OE2 GLU A 196 35.796 0.057 -9.259 1.00 0.00 O ATOM 0 H GLU A 196 32.102 2.628 -6.928 1.00 0.00 H new ATOM 0 HA GLU A 196 34.396 4.444 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 196 33.255 2.212 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 196 34.080 3.565 -9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 196 36.133 3.067 -8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 196 35.338 1.879 -7.654 1.00 0.00 H new ATOM 1156 N ASN A 197 32.942 5.716 -9.268 1.00 0.00 N ATOM 1157 CA ASN A 197 32.066 6.723 -9.856 1.00 0.00 C ATOM 1158 C ASN A 197 31.777 6.405 -11.320 1.00 0.00 C ATOM 1159 O ASN A 197 32.468 5.596 -11.939 1.00 0.00 O ATOM 1160 CB ASN A 197 32.698 8.111 -9.738 1.00 0.00 C ATOM 1161 CG ASN A 197 32.802 8.579 -8.300 1.00 0.00 C ATOM 1162 OD1 ASN A 197 33.894 8.844 -7.799 1.00 0.00 O ATOM 1163 ND2 ASN A 197 31.661 8.684 -7.629 1.00 0.00 N ATOM 0 H ASN A 197 33.886 5.702 -9.653 1.00 0.00 H new ATOM 0 HA ASN A 197 31.124 6.713 -9.308 1.00 0.00 H new ATOM 0 HB2 ASN A 197 33.692 8.093 -10.184 1.00 0.00 H new ATOM 0 HB3 ASN A 197 32.105 8.827 -10.308 1.00 0.00 H new ATOM 0 HD21 ASN A 197 31.667 8.995 -6.658 1.00 0.00 H new ATOM 0 HD22 ASN A 197 30.778 8.454 -8.085 1.00 0.00 H new ATOM 1170 N PHE A 198 30.752 7.049 -11.868 1.00 0.00 N ATOM 1171 CA PHE A 198 30.371 6.835 -13.260 1.00 0.00 C ATOM 1172 C PHE A 198 30.636 8.085 -14.094 1.00 0.00 C ATOM 1173 O PHE A 198 30.220 9.186 -13.734 1.00 0.00 O ATOM 1174 CB PHE A 198 28.893 6.450 -13.352 1.00 0.00 C ATOM 1175 CG PHE A 198 27.991 7.333 -12.539 1.00 0.00 C ATOM 1176 CD1 PHE A 198 27.451 8.485 -13.086 1.00 0.00 C ATOM 1177 CD2 PHE A 198 27.683 7.010 -11.227 1.00 0.00 C ATOM 1178 CE1 PHE A 198 26.621 9.300 -12.339 1.00 0.00 C ATOM 1179 CE2 PHE A 198 26.854 7.821 -10.475 1.00 0.00 C ATOM 1180 CZ PHE A 198 26.321 8.967 -11.032 1.00 0.00 C ATOM 0 H PHE A 198 30.170 7.723 -11.370 1.00 0.00 H new ATOM 0 HA PHE A 198 30.977 6.020 -13.656 1.00 0.00 H new ATOM 0 HB2 PHE A 198 28.580 6.488 -14.396 1.00 0.00 H new ATOM 0 HB3 PHE A 198 28.773 5.419 -13.020 1.00 0.00 H new ATOM 0 HD1 PHE A 198 27.681 8.750 -14.108 1.00 0.00 H new ATOM 0 HD2 PHE A 198 28.096 6.114 -10.787 1.00 0.00 H new ATOM 0 HE1 PHE A 198 26.207 10.196 -12.777 1.00 0.00 H new ATOM 0 HE2 PHE A 198 26.623 7.559 -9.453 1.00 0.00 H new ATOM 0 HZ PHE A 198 25.671 9.601 -10.447 1.00 0.00 H new ATOM 1190 N THR A 199 31.332 7.906 -15.213 1.00 0.00 N ATOM 1191 CA THR A 199 31.655 9.017 -16.098 1.00 0.00 C ATOM 1192 C THR A 199 30.510 9.301 -17.064 1.00 0.00 C ATOM 1193 O THR A 199 29.651 8.449 -17.289 1.00 0.00 O ATOM 1194 CB THR A 199 32.936 8.738 -16.906 1.00 0.00 C ATOM 1195 OG1 THR A 199 32.833 7.471 -17.566 1.00 0.00 O ATOM 1196 CG2 THR A 199 34.159 8.746 -16.001 1.00 0.00 C ATOM 0 H THR A 199 31.683 7.001 -15.527 1.00 0.00 H new ATOM 0 HA THR A 199 31.817 9.889 -15.464 1.00 0.00 H new ATOM 0 HB THR A 199 33.049 9.527 -17.650 1.00 0.00 H new ATOM 0 HG1 THR A 199 33.651 7.302 -18.079 1.00 0.00 H new ATOM 0 HG21 THR A 199 35.052 8.547 -16.594 1.00 0.00 H new ATOM 0 HG22 THR A 199 34.251 9.721 -15.523 1.00 0.00 H new ATOM 0 HG23 THR A 199 34.051 7.976 -15.237 1.00 0.00 H new ATOM 1204 N GLU A 200 30.506 10.502 -17.634 1.00 0.00 N ATOM 1205 CA GLU A 200 29.466 10.897 -18.576 1.00 0.00 C ATOM 1206 C GLU A 200 29.416 9.940 -19.764 1.00 0.00 C ATOM 1207 O GLU A 200 28.376 9.776 -20.402 1.00 0.00 O ATOM 1208 CB GLU A 200 29.707 12.325 -19.068 1.00 0.00 C ATOM 1209 CG GLU A 200 31.115 12.560 -19.589 1.00 0.00 C ATOM 1210 CD GLU A 200 31.252 13.879 -20.325 1.00 0.00 C ATOM 1211 OE1 GLU A 200 30.347 14.215 -21.116 1.00 0.00 O ATOM 1212 OE2 GLU A 200 32.267 14.575 -20.109 1.00 0.00 O ATOM 0 H GLU A 200 31.211 11.218 -17.460 1.00 0.00 H new ATOM 0 HA GLU A 200 28.508 10.856 -18.057 1.00 0.00 H new ATOM 0 HB2 GLU A 200 28.993 12.553 -19.859 1.00 0.00 H new ATOM 0 HB3 GLU A 200 29.510 13.020 -18.251 1.00 0.00 H new ATOM 0 HG2 GLU A 200 31.815 12.540 -18.754 1.00 0.00 H new ATOM 0 HG3 GLU A 200 31.392 11.745 -20.257 1.00 0.00 H new ATOM 1219 N THR A 201 30.549 9.309 -20.056 1.00 0.00 N ATOM 1220 CA THR A 201 30.637 8.370 -21.167 1.00 0.00 C ATOM 1221 C THR A 201 30.083 7.004 -20.777 1.00 0.00 C ATOM 1222 O THR A 201 29.284 6.416 -21.506 1.00 0.00 O ATOM 1223 CB THR A 201 32.091 8.203 -21.648 1.00 0.00 C ATOM 1224 OG1 THR A 201 32.685 9.488 -21.865 1.00 0.00 O ATOM 1225 CG2 THR A 201 32.145 7.390 -22.933 1.00 0.00 C ATOM 0 H THR A 201 31.419 9.432 -19.538 1.00 0.00 H new ATOM 0 HA THR A 201 30.039 8.784 -21.979 1.00 0.00 H new ATOM 0 HB THR A 201 32.648 7.671 -20.876 1.00 0.00 H new ATOM 0 HG1 THR A 201 33.610 9.374 -22.169 1.00 0.00 H new ATOM 0 HG21 THR A 201 33.181 7.285 -23.254 1.00 0.00 H new ATOM 0 HG22 THR A 201 31.718 6.403 -22.757 1.00 0.00 H new ATOM 0 HG23 THR A 201 31.575 7.899 -23.710 1.00 0.00 H new ATOM 1233 N ASP A 202 30.512 6.504 -19.623 1.00 0.00 N ATOM 1234 CA ASP A 202 30.058 5.207 -19.136 1.00 0.00 C ATOM 1235 C ASP A 202 28.557 5.225 -18.861 1.00 0.00 C ATOM 1236 O ASP A 202 27.834 4.307 -19.247 1.00 0.00 O ATOM 1237 CB ASP A 202 30.817 4.821 -17.865 1.00 0.00 C ATOM 1238 CG ASP A 202 30.437 3.443 -17.360 1.00 0.00 C ATOM 1239 OD1 ASP A 202 29.689 2.736 -18.068 1.00 0.00 O ATOM 1240 OD2 ASP A 202 30.888 3.071 -16.257 1.00 0.00 O ATOM 0 H ASP A 202 31.174 6.977 -19.008 1.00 0.00 H new ATOM 0 HA ASP A 202 30.259 4.466 -19.909 1.00 0.00 H new ATOM 0 HB2 ASP A 202 31.889 4.850 -18.062 1.00 0.00 H new ATOM 0 HB3 ASP A 202 30.616 5.558 -17.087 1.00 0.00 H new ATOM 1245 N VAL A 203 28.096 6.276 -18.191 1.00 0.00 N ATOM 1246 CA VAL A 203 26.682 6.414 -17.864 1.00 0.00 C ATOM 1247 C VAL A 203 25.827 6.451 -19.126 1.00 0.00 C ATOM 1248 O VAL A 203 24.679 6.007 -19.125 1.00 0.00 O ATOM 1249 CB VAL A 203 26.418 7.689 -17.041 1.00 0.00 C ATOM 1250 CG1 VAL A 203 26.746 8.930 -17.858 1.00 0.00 C ATOM 1251 CG2 VAL A 203 24.975 7.723 -16.560 1.00 0.00 C ATOM 0 H VAL A 203 28.681 7.045 -17.864 1.00 0.00 H new ATOM 0 HA VAL A 203 26.408 5.543 -17.269 1.00 0.00 H new ATOM 0 HB VAL A 203 27.068 7.677 -16.166 1.00 0.00 H new ATOM 0 HG11 VAL A 203 26.553 9.821 -17.260 1.00 0.00 H new ATOM 0 HG12 VAL A 203 27.797 8.908 -18.148 1.00 0.00 H new ATOM 0 HG13 VAL A 203 26.123 8.952 -18.752 1.00 0.00 H new ATOM 0 HG21 VAL A 203 24.806 8.630 -15.980 1.00 0.00 H new ATOM 0 HG22 VAL A 203 24.305 7.711 -17.419 1.00 0.00 H new ATOM 0 HG23 VAL A 203 24.779 6.852 -15.935 1.00 0.00 H new ATOM 1261 N LYS A 204 26.395 6.984 -20.203 1.00 0.00 N ATOM 1262 CA LYS A 204 25.687 7.078 -21.474 1.00 0.00 C ATOM 1263 C LYS A 204 25.262 5.698 -21.964 1.00 0.00 C ATOM 1264 O LYS A 204 24.181 5.536 -22.530 1.00 0.00 O ATOM 1265 CB LYS A 204 26.571 7.753 -22.525 1.00 0.00 C ATOM 1266 CG LYS A 204 25.929 8.969 -23.170 1.00 0.00 C ATOM 1267 CD LYS A 204 26.937 9.770 -23.977 1.00 0.00 C ATOM 1268 CE LYS A 204 27.004 11.216 -23.508 1.00 0.00 C ATOM 1269 NZ LYS A 204 25.892 12.033 -24.068 1.00 0.00 N ATOM 0 H LYS A 204 27.344 7.357 -20.221 1.00 0.00 H new ATOM 0 HA LYS A 204 24.792 7.681 -21.318 1.00 0.00 H new ATOM 0 HB2 LYS A 204 27.510 8.052 -22.060 1.00 0.00 H new ATOM 0 HB3 LYS A 204 26.817 7.028 -23.301 1.00 0.00 H new ATOM 0 HG2 LYS A 204 25.113 8.650 -23.819 1.00 0.00 H new ATOM 0 HG3 LYS A 204 25.493 9.603 -22.398 1.00 0.00 H new ATOM 0 HD2 LYS A 204 27.922 9.312 -23.889 1.00 0.00 H new ATOM 0 HD3 LYS A 204 26.665 9.741 -25.032 1.00 0.00 H new ATOM 0 HE2 LYS A 204 26.965 11.247 -22.419 1.00 0.00 H new ATOM 0 HE3 LYS A 204 27.959 11.650 -23.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 204 25.973 13.011 -23.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 204 25.944 12.025 -25.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 204 24.981 11.634 -23.764 1.00 0.00 H new ATOM 1283 N MET A 205 26.118 4.706 -21.740 1.00 0.00 N ATOM 1284 CA MET A 205 25.828 3.339 -22.157 1.00 0.00 C ATOM 1285 C MET A 205 24.651 2.769 -21.371 1.00 0.00 C ATOM 1286 O MET A 205 23.795 2.083 -21.929 1.00 0.00 O ATOM 1287 CB MET A 205 27.061 2.453 -21.966 1.00 0.00 C ATOM 1288 CG MET A 205 28.345 3.078 -22.486 1.00 0.00 C ATOM 1289 SD MET A 205 29.698 1.892 -22.599 1.00 0.00 S ATOM 1290 CE MET A 205 30.702 2.644 -23.878 1.00 0.00 C ATOM 0 H MET A 205 27.017 4.823 -21.273 1.00 0.00 H new ATOM 0 HA MET A 205 25.562 3.356 -23.214 1.00 0.00 H new ATOM 0 HB2 MET A 205 27.178 2.231 -20.905 1.00 0.00 H new ATOM 0 HB3 MET A 205 26.898 1.503 -22.474 1.00 0.00 H new ATOM 0 HG2 MET A 205 28.162 3.509 -23.470 1.00 0.00 H new ATOM 0 HG3 MET A 205 28.638 3.897 -21.829 1.00 0.00 H new ATOM 0 HE1 MET A 205 31.580 2.025 -24.062 1.00 0.00 H new ATOM 0 HE2 MET A 205 30.119 2.729 -24.795 1.00 0.00 H new ATOM 0 HE3 MET A 205 31.018 3.636 -23.556 1.00 0.00 H new ATOM 1300 N MET A 206 24.616 3.057 -20.074 1.00 0.00 N ATOM 1301 CA MET A 206 23.543 2.573 -19.213 1.00 0.00 C ATOM 1302 C MET A 206 22.230 3.282 -19.530 1.00 0.00 C ATOM 1303 O MET A 206 21.191 2.642 -19.685 1.00 0.00 O ATOM 1304 CB MET A 206 23.907 2.783 -17.742 1.00 0.00 C ATOM 1305 CG MET A 206 24.973 1.824 -17.237 1.00 0.00 C ATOM 1306 SD MET A 206 26.360 2.675 -16.460 1.00 0.00 S ATOM 1307 CE MET A 206 25.533 3.495 -15.099 1.00 0.00 C ATOM 0 H MET A 206 25.318 3.623 -19.596 1.00 0.00 H new ATOM 0 HA MET A 206 23.414 1.507 -19.399 1.00 0.00 H new ATOM 0 HB2 MET A 206 24.256 3.806 -17.605 1.00 0.00 H new ATOM 0 HB3 MET A 206 23.009 2.669 -17.134 1.00 0.00 H new ATOM 0 HG2 MET A 206 24.526 1.135 -16.520 1.00 0.00 H new ATOM 0 HG3 MET A 206 25.340 1.224 -18.069 1.00 0.00 H new ATOM 0 HE1 MET A 206 26.269 3.792 -14.352 1.00 0.00 H new ATOM 0 HE2 MET A 206 25.014 4.379 -15.468 1.00 0.00 H new ATOM 0 HE3 MET A 206 24.812 2.813 -14.647 1.00 0.00 H new ATOM 1317 N GLU A 207 22.286 4.607 -19.625 1.00 0.00 N ATOM 1318 CA GLU A 207 21.100 5.402 -19.923 1.00 0.00 C ATOM 1319 C GLU A 207 20.395 4.880 -21.172 1.00 0.00 C ATOM 1320 O GLU A 207 19.171 4.948 -21.281 1.00 0.00 O ATOM 1321 CB GLU A 207 21.478 6.872 -20.114 1.00 0.00 C ATOM 1322 CG GLU A 207 21.917 7.559 -18.831 1.00 0.00 C ATOM 1323 CD GLU A 207 20.981 8.677 -18.418 1.00 0.00 C ATOM 1324 OE1 GLU A 207 19.992 8.391 -17.711 1.00 0.00 O ATOM 1325 OE2 GLU A 207 21.236 9.838 -18.803 1.00 0.00 O ATOM 0 H GLU A 207 23.139 5.152 -19.500 1.00 0.00 H new ATOM 0 HA GLU A 207 20.416 5.318 -19.078 1.00 0.00 H new ATOM 0 HB2 GLU A 207 22.283 6.939 -20.846 1.00 0.00 H new ATOM 0 HB3 GLU A 207 20.624 7.407 -20.529 1.00 0.00 H new ATOM 0 HG2 GLU A 207 21.973 6.822 -18.030 1.00 0.00 H new ATOM 0 HG3 GLU A 207 22.921 7.962 -18.964 1.00 0.00 H new ATOM 1332 N ARG A 208 21.177 4.360 -22.112 1.00 0.00 N ATOM 1333 CA ARG A 208 20.630 3.829 -23.354 1.00 0.00 C ATOM 1334 C ARG A 208 19.819 2.563 -23.093 1.00 0.00 C ATOM 1335 O ARG A 208 18.677 2.442 -23.536 1.00 0.00 O ATOM 1336 CB ARG A 208 21.755 3.532 -24.347 1.00 0.00 C ATOM 1337 CG ARG A 208 21.681 4.363 -25.618 1.00 0.00 C ATOM 1338 CD ARG A 208 21.528 3.484 -26.849 1.00 0.00 C ATOM 1339 NE ARG A 208 21.673 4.246 -28.087 1.00 0.00 N ATOM 1340 CZ ARG A 208 20.710 5.003 -28.601 1.00 0.00 C ATOM 1341 NH1 ARG A 208 19.538 5.098 -27.987 1.00 0.00 N ATOM 1342 NH2 ARG A 208 20.917 5.666 -29.731 1.00 0.00 N ATOM 0 H ARG A 208 22.192 4.295 -22.037 1.00 0.00 H new ATOM 0 HA ARG A 208 19.968 4.582 -23.781 1.00 0.00 H new ATOM 0 HB2 ARG A 208 22.714 3.712 -23.861 1.00 0.00 H new ATOM 0 HB3 ARG A 208 21.725 2.475 -24.612 1.00 0.00 H new ATOM 0 HG2 ARG A 208 20.839 5.053 -25.555 1.00 0.00 H new ATOM 0 HG3 ARG A 208 22.583 4.968 -25.711 1.00 0.00 H new ATOM 0 HD2 ARG A 208 22.274 2.690 -26.823 1.00 0.00 H new ATOM 0 HD3 ARG A 208 20.550 3.003 -26.832 1.00 0.00 H new ATOM 0 HE ARG A 208 22.562 4.194 -28.584 1.00 0.00 H new ATOM 0 HH11 ARG A 208 19.375 4.589 -27.118 1.00 0.00 H new ATOM 0 HH12 ARG A 208 18.800 5.680 -28.384 1.00 0.00 H new ATOM 0 HH21 ARG A 208 21.817 5.595 -30.207 1.00 0.00 H new ATOM 0 HH22 ARG A 208 20.177 6.247 -30.124 1.00 0.00 H new ATOM 1356 N VAL A 209 20.419 1.621 -22.372 1.00 0.00 N ATOM 1357 CA VAL A 209 19.754 0.363 -22.052 1.00 0.00 C ATOM 1358 C VAL A 209 18.478 0.605 -21.253 1.00 0.00 C ATOM 1359 O VAL A 209 17.477 -0.089 -21.436 1.00 0.00 O ATOM 1360 CB VAL A 209 20.678 -0.573 -21.251 1.00 0.00 C ATOM 1361 CG1 VAL A 209 19.957 -1.866 -20.902 1.00 0.00 C ATOM 1362 CG2 VAL A 209 21.953 -0.858 -22.032 1.00 0.00 C ATOM 0 H VAL A 209 21.364 1.705 -21.998 1.00 0.00 H new ATOM 0 HA VAL A 209 19.502 -0.112 -23.000 1.00 0.00 H new ATOM 0 HB VAL A 209 20.952 -0.076 -20.320 1.00 0.00 H new ATOM 0 HG11 VAL A 209 20.626 -2.514 -20.336 1.00 0.00 H new ATOM 0 HG12 VAL A 209 19.076 -1.641 -20.301 1.00 0.00 H new ATOM 0 HG13 VAL A 209 19.652 -2.371 -21.818 1.00 0.00 H new ATOM 0 HG21 VAL A 209 22.595 -1.521 -21.452 1.00 0.00 H new ATOM 0 HG22 VAL A 209 21.701 -1.335 -22.979 1.00 0.00 H new ATOM 0 HG23 VAL A 209 22.478 0.077 -22.225 1.00 0.00 H new ATOM 1372 N VAL A 210 18.520 1.594 -20.366 1.00 0.00 N ATOM 1373 CA VAL A 210 17.366 1.929 -19.540 1.00 0.00 C ATOM 1374 C VAL A 210 16.137 2.206 -20.398 1.00 0.00 C ATOM 1375 O VAL A 210 15.010 1.918 -19.996 1.00 0.00 O ATOM 1376 CB VAL A 210 17.648 3.157 -18.654 1.00 0.00 C ATOM 1377 CG1 VAL A 210 16.474 3.428 -17.726 1.00 0.00 C ATOM 1378 CG2 VAL A 210 18.931 2.959 -17.861 1.00 0.00 C ATOM 0 H VAL A 210 19.340 2.177 -20.201 1.00 0.00 H new ATOM 0 HA VAL A 210 17.172 1.067 -18.902 1.00 0.00 H new ATOM 0 HB VAL A 210 17.777 4.026 -19.299 1.00 0.00 H new ATOM 0 HG11 VAL A 210 16.692 4.299 -17.108 1.00 0.00 H new ATOM 0 HG12 VAL A 210 15.579 3.618 -18.318 1.00 0.00 H new ATOM 0 HG13 VAL A 210 16.309 2.561 -17.086 1.00 0.00 H new ATOM 0 HG21 VAL A 210 19.114 3.836 -17.241 1.00 0.00 H new ATOM 0 HG22 VAL A 210 18.834 2.079 -17.225 1.00 0.00 H new ATOM 0 HG23 VAL A 210 19.766 2.820 -18.548 1.00 0.00 H new ATOM 1388 N GLU A 211 16.363 2.767 -21.582 1.00 0.00 N ATOM 1389 CA GLU A 211 15.273 3.083 -22.497 1.00 0.00 C ATOM 1390 C GLU A 211 14.546 1.815 -22.936 1.00 0.00 C ATOM 1391 O GLU A 211 13.325 1.714 -22.813 1.00 0.00 O ATOM 1392 CB GLU A 211 15.806 3.828 -23.723 1.00 0.00 C ATOM 1393 CG GLU A 211 14.742 4.119 -24.768 1.00 0.00 C ATOM 1394 CD GLU A 211 15.199 5.135 -25.798 1.00 0.00 C ATOM 1395 OE1 GLU A 211 16.367 5.054 -26.233 1.00 0.00 O ATOM 1396 OE2 GLU A 211 14.389 6.011 -26.167 1.00 0.00 O ATOM 0 H GLU A 211 17.290 3.012 -21.929 1.00 0.00 H new ATOM 0 HA GLU A 211 14.565 3.723 -21.970 1.00 0.00 H new ATOM 0 HB2 GLU A 211 16.253 4.768 -23.400 1.00 0.00 H new ATOM 0 HB3 GLU A 211 16.600 3.237 -24.180 1.00 0.00 H new ATOM 0 HG2 GLU A 211 14.471 3.192 -25.273 1.00 0.00 H new ATOM 0 HG3 GLU A 211 13.843 4.487 -24.273 1.00 0.00 H new ATOM 1403 N GLN A 212 15.305 0.852 -23.449 1.00 0.00 N ATOM 1404 CA GLN A 212 14.733 -0.408 -23.907 1.00 0.00 C ATOM 1405 C GLN A 212 13.881 -1.048 -22.816 1.00 0.00 C ATOM 1406 O GLN A 212 12.831 -1.628 -23.095 1.00 0.00 O ATOM 1407 CB GLN A 212 15.843 -1.371 -24.334 1.00 0.00 C ATOM 1408 CG GLN A 212 15.515 -2.157 -25.593 1.00 0.00 C ATOM 1409 CD GLN A 212 15.976 -3.599 -25.517 1.00 0.00 C ATOM 1410 OE1 GLN A 212 17.172 -3.884 -25.573 1.00 0.00 O ATOM 1411 NE2 GLN A 212 15.026 -4.519 -25.389 1.00 0.00 N ATOM 0 H GLN A 212 16.317 0.920 -23.558 1.00 0.00 H new ATOM 0 HA GLN A 212 14.094 -0.197 -24.765 1.00 0.00 H new ATOM 0 HB2 GLN A 212 16.760 -0.805 -24.497 1.00 0.00 H new ATOM 0 HB3 GLN A 212 16.040 -2.069 -23.521 1.00 0.00 H new ATOM 0 HG2 GLN A 212 14.439 -2.132 -25.762 1.00 0.00 H new ATOM 0 HG3 GLN A 212 15.984 -1.674 -26.451 1.00 0.00 H new ATOM 0 HE21 GLN A 212 14.046 -4.238 -25.347 1.00 0.00 H new ATOM 0 HE22 GLN A 212 15.276 -5.506 -25.333 1.00 0.00 H new ATOM 1420 N MET A 213 14.339 -0.939 -21.574 1.00 0.00 N ATOM 1421 CA MET A 213 13.618 -1.507 -20.441 1.00 0.00 C ATOM 1422 C MET A 213 12.194 -0.964 -20.376 1.00 0.00 C ATOM 1423 O MET A 213 11.229 -1.727 -20.320 1.00 0.00 O ATOM 1424 CB MET A 213 14.353 -1.199 -19.135 1.00 0.00 C ATOM 1425 CG MET A 213 14.875 -2.438 -18.425 1.00 0.00 C ATOM 1426 SD MET A 213 16.649 -2.671 -18.646 1.00 0.00 S ATOM 1427 CE MET A 213 17.290 -1.268 -17.736 1.00 0.00 C ATOM 0 H MET A 213 15.206 -0.463 -21.326 1.00 0.00 H new ATOM 0 HA MET A 213 13.571 -2.587 -20.577 1.00 0.00 H new ATOM 0 HB2 MET A 213 15.189 -0.532 -19.347 1.00 0.00 H new ATOM 0 HB3 MET A 213 13.679 -0.663 -18.466 1.00 0.00 H new ATOM 0 HG2 MET A 213 14.652 -2.363 -17.361 1.00 0.00 H new ATOM 0 HG3 MET A 213 14.348 -3.316 -18.800 1.00 0.00 H new ATOM 0 HE1 MET A 213 18.197 -0.905 -18.219 1.00 0.00 H new ATOM 0 HE2 MET A 213 16.544 -0.473 -17.720 1.00 0.00 H new ATOM 0 HE3 MET A 213 17.519 -1.571 -16.714 1.00 0.00 H new ATOM 1437 N CYS A 214 12.069 0.359 -20.383 1.00 0.00 N ATOM 1438 CA CYS A 214 10.763 1.005 -20.325 1.00 0.00 C ATOM 1439 C CYS A 214 9.862 0.514 -21.454 1.00 0.00 C ATOM 1440 O CYS A 214 8.655 0.352 -21.274 1.00 0.00 O ATOM 1441 CB CYS A 214 10.918 2.525 -20.405 1.00 0.00 C ATOM 1442 SG CYS A 214 11.589 3.285 -18.892 1.00 0.00 S ATOM 0 H CYS A 214 12.857 1.005 -20.428 1.00 0.00 H new ATOM 0 HA CYS A 214 10.299 0.744 -19.374 1.00 0.00 H new ATOM 0 HB2 CYS A 214 11.572 2.769 -21.242 1.00 0.00 H new ATOM 0 HB3 CYS A 214 9.946 2.968 -20.621 1.00 0.00 H new ATOM 0 HG CYS A 214 11.685 4.571 -19.058 1.00 0.00 H new ATOM 1447 N ILE A 215 10.458 0.279 -22.619 1.00 0.00 N ATOM 1448 CA ILE A 215 9.710 -0.194 -23.777 1.00 0.00 C ATOM 1449 C ILE A 215 9.332 -1.664 -23.624 1.00 0.00 C ATOM 1450 O ILE A 215 8.281 -2.099 -24.095 1.00 0.00 O ATOM 1451 CB ILE A 215 10.515 -0.015 -25.078 1.00 0.00 C ATOM 1452 CG1 ILE A 215 10.912 1.451 -25.260 1.00 0.00 C ATOM 1453 CG2 ILE A 215 9.707 -0.502 -26.272 1.00 0.00 C ATOM 1454 CD1 ILE A 215 11.972 1.663 -26.318 1.00 0.00 C ATOM 0 H ILE A 215 11.456 0.409 -22.785 1.00 0.00 H new ATOM 0 HA ILE A 215 8.803 0.408 -23.835 1.00 0.00 H new ATOM 0 HB ILE A 215 11.424 -0.613 -25.010 1.00 0.00 H new ATOM 0 HG12 ILE A 215 10.026 2.029 -25.524 1.00 0.00 H new ATOM 0 HG13 ILE A 215 11.276 1.841 -24.309 1.00 0.00 H new ATOM 0 HG21 ILE A 215 10.289 -0.369 -27.184 1.00 0.00 H new ATOM 0 HG22 ILE A 215 9.469 -1.558 -26.144 1.00 0.00 H new ATOM 0 HG23 ILE A 215 8.783 0.072 -26.344 1.00 0.00 H new ATOM 0 HD11 ILE A 215 12.204 2.725 -26.393 1.00 0.00 H new ATOM 0 HD12 ILE A 215 12.873 1.113 -26.046 1.00 0.00 H new ATOM 0 HD13 ILE A 215 11.604 1.304 -27.279 1.00 0.00 H new ATOM 1466 N THR A 216 10.197 -2.426 -22.961 1.00 0.00 N ATOM 1467 CA THR A 216 9.954 -3.846 -22.745 1.00 0.00 C ATOM 1468 C THR A 216 8.723 -4.068 -21.874 1.00 0.00 C ATOM 1469 O THR A 216 7.965 -5.014 -22.085 1.00 0.00 O ATOM 1470 CB THR A 216 11.166 -4.529 -22.083 1.00 0.00 C ATOM 1471 OG1 THR A 216 12.368 -4.169 -22.773 1.00 0.00 O ATOM 1472 CG2 THR A 216 11.005 -6.041 -22.088 1.00 0.00 C ATOM 0 H THR A 216 11.072 -2.083 -22.565 1.00 0.00 H new ATOM 0 HA THR A 216 9.786 -4.290 -23.726 1.00 0.00 H new ATOM 0 HB THR A 216 11.226 -4.190 -21.049 1.00 0.00 H new ATOM 0 HG1 THR A 216 12.617 -3.250 -22.539 1.00 0.00 H new ATOM 0 HG21 THR A 216 11.873 -6.501 -21.615 1.00 0.00 H new ATOM 0 HG22 THR A 216 10.105 -6.313 -21.537 1.00 0.00 H new ATOM 0 HG23 THR A 216 10.922 -6.395 -23.116 1.00 0.00 H new ATOM 1480 N GLN A 217 8.529 -3.188 -20.896 1.00 0.00 N ATOM 1481 CA GLN A 217 7.388 -3.289 -19.994 1.00 0.00 C ATOM 1482 C GLN A 217 6.078 -3.317 -20.774 1.00 0.00 C ATOM 1483 O GLN A 217 5.203 -4.141 -20.507 1.00 0.00 O ATOM 1484 CB GLN A 217 7.384 -2.118 -19.010 1.00 0.00 C ATOM 1485 CG GLN A 217 6.597 -2.394 -17.739 1.00 0.00 C ATOM 1486 CD GLN A 217 7.363 -3.257 -16.755 1.00 0.00 C ATOM 1487 OE1 GLN A 217 7.097 -4.452 -16.623 1.00 0.00 O ATOM 1488 NE2 GLN A 217 8.319 -2.654 -16.058 1.00 0.00 N ATOM 0 H GLN A 217 9.147 -2.398 -20.709 1.00 0.00 H new ATOM 0 HA GLN A 217 7.478 -4.222 -19.438 1.00 0.00 H new ATOM 0 HB2 GLN A 217 8.413 -1.874 -18.745 1.00 0.00 H new ATOM 0 HB3 GLN A 217 6.965 -1.241 -19.504 1.00 0.00 H new ATOM 0 HG2 GLN A 217 6.339 -1.448 -17.263 1.00 0.00 H new ATOM 0 HG3 GLN A 217 5.660 -2.887 -17.996 1.00 0.00 H new ATOM 0 HE21 GLN A 217 8.505 -1.661 -16.200 1.00 0.00 H new ATOM 0 HE22 GLN A 217 8.867 -3.184 -15.380 1.00 0.00 H new ATOM 1497 N TYR A 218 5.950 -2.413 -21.738 1.00 0.00 N ATOM 1498 CA TYR A 218 4.745 -2.332 -22.556 1.00 0.00 C ATOM 1499 C TYR A 218 4.416 -3.687 -23.176 1.00 0.00 C ATOM 1500 O TYR A 218 5.234 -4.273 -23.883 1.00 0.00 O ATOM 1501 CB TYR A 218 4.919 -1.284 -23.656 1.00 0.00 C ATOM 1502 CG TYR A 218 4.876 0.139 -23.148 1.00 0.00 C ATOM 1503 CD1 TYR A 218 3.665 0.796 -22.962 1.00 0.00 C ATOM 1504 CD2 TYR A 218 6.046 0.828 -22.854 1.00 0.00 C ATOM 1505 CE1 TYR A 218 3.622 2.096 -22.499 1.00 0.00 C ATOM 1506 CE2 TYR A 218 6.012 2.129 -22.389 1.00 0.00 C ATOM 1507 CZ TYR A 218 4.798 2.759 -22.214 1.00 0.00 C ATOM 1508 OH TYR A 218 4.759 4.054 -21.751 1.00 0.00 O ATOM 0 H TYR A 218 6.666 -1.725 -21.973 1.00 0.00 H new ATOM 0 HA TYR A 218 3.918 -2.037 -21.911 1.00 0.00 H new ATOM 0 HB2 TYR A 218 5.871 -1.453 -24.160 1.00 0.00 H new ATOM 0 HB3 TYR A 218 4.136 -1.419 -24.402 1.00 0.00 H new ATOM 0 HD1 TYR A 218 2.742 0.281 -23.183 1.00 0.00 H new ATOM 0 HD2 TYR A 218 6.999 0.338 -22.991 1.00 0.00 H new ATOM 0 HE1 TYR A 218 2.672 2.592 -22.361 1.00 0.00 H new ATOM 0 HE2 TYR A 218 6.931 2.649 -22.164 1.00 0.00 H new ATOM 0 HH TYR A 218 5.672 4.374 -21.598 1.00 0.00 H new