USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 271 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 261 THR OG1 : rot 130:sc= -0.959 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.972 K(o=-1.9,f=-1.1!) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -0.892 K(o=-0.89,f=-0.31) USER MOD Set 2.2: A 256 GLN : amide:sc=-0.000434 K(o=-0.89,f=-1.4) USER MOD Set 3.1: A 247 GLN : amide:sc= -3.96! C(o=-7.9!,f=-5.3!) USER MOD Set 3.2: A 249 GLN : amide:sc= -3.91! K(o=-7.9!,f=-3.2) USER MOD Set 4.1: A 242 GLN : amide:sc= -0.216 X(o=0.23,f=-0.035) USER MOD Set 4.2: A 244 THR OG1 : rot 180:sc= 0.441 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : B 210 SER OG : rot 34:sc= 0.193 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 236 -9.414 4.321 -2.418 1.00 15.00 N ATOM 19 CA LEU A 236 -9.310 3.417 -1.283 1.00 15.00 C ATOM 20 C LEU A 236 -10.339 3.758 -0.224 1.00 15.00 C ATOM 21 O LEU A 236 -10.776 4.902 -0.098 1.00 15.00 O ATOM 22 CB LEU A 236 -7.928 3.466 -0.599 1.00 15.00 C ATOM 23 CG LEU A 236 -6.688 3.534 -1.497 1.00 15.00 C ATOM 24 CD1 LEU A 236 -6.699 2.413 -2.515 1.00 15.00 C ATOM 25 CD2 LEU A 236 -6.572 4.886 -2.179 1.00 15.00 C ATOM 0 HA LEU A 236 -9.475 2.421 -1.694 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -7.912 4.333 0.061 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -7.836 2.583 0.033 1.00 15.00 H new ATOM 0 HG LEU A 236 -5.811 3.409 -0.862 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -5.809 2.481 -3.141 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -6.706 1.453 -1.999 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -7.589 2.497 -3.139 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -5.682 4.901 -2.808 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.455 5.060 -2.794 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -6.496 5.669 -1.424 1.00 15.00 H new ATOM 37 N PRO A 237 -10.714 2.748 0.554 1.00 15.00 N ATOM 38 CA PRO A 237 -11.374 2.934 1.843 1.00 15.00 C ATOM 39 C PRO A 237 -10.412 3.515 2.857 1.00 15.00 C ATOM 40 O PRO A 237 -9.221 3.689 2.599 1.00 15.00 O ATOM 41 CB PRO A 237 -11.782 1.511 2.259 1.00 15.00 C ATOM 42 CG PRO A 237 -11.613 0.661 1.042 1.00 15.00 C ATOM 43 CD PRO A 237 -10.579 1.338 0.186 1.00 15.00 C ATOM 0 HA PRO A 237 -12.218 3.621 1.784 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.158 1.150 3.077 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.813 1.488 2.611 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.293 -0.345 1.313 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.556 0.562 0.505 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.577 0.962 0.392 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.768 1.179 -0.876 1.00 15.00 H new ATOM 51 N GLU A 238 -10.954 3.828 3.996 1.00 15.00 N ATOM 52 CA GLU A 238 -10.189 4.438 5.072 1.00 15.00 C ATOM 53 C GLU A 238 -9.189 3.449 5.670 1.00 15.00 C ATOM 54 O GLU A 238 -9.479 2.260 5.819 1.00 15.00 O ATOM 55 CB GLU A 238 -11.134 4.929 6.169 1.00 15.00 C ATOM 56 CG GLU A 238 -10.417 5.586 7.335 1.00 15.00 C ATOM 57 CD GLU A 238 -11.304 5.759 8.544 1.00 15.00 C ATOM 58 OE1 GLU A 238 -11.587 4.750 9.223 1.00 15.00 O ATOM 59 OE2 GLU A 238 -11.698 6.905 8.838 1.00 15.00 O1- ATOM 0 H GLU A 238 -11.937 3.673 4.217 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.636 5.280 4.655 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -11.839 5.640 5.739 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.717 4.086 6.540 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -9.551 4.984 7.609 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -10.042 6.561 7.023 1.00 15.00 H new ATOM 66 N GLY A 239 -8.023 3.968 6.041 1.00 15.00 N ATOM 67 CA GLY A 239 -7.004 3.157 6.679 1.00 15.00 C ATOM 68 C GLY A 239 -5.904 2.708 5.738 1.00 15.00 C ATOM 69 O GLY A 239 -5.062 1.898 6.120 1.00 15.00 O ATOM 0 H GLY A 239 -7.765 4.946 5.909 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.561 3.724 7.497 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.475 2.278 7.119 1.00 15.00 H new ATOM 73 N TYR A 240 -5.891 3.225 4.516 1.00 15.00 N ATOM 74 CA TYR A 240 -4.848 2.859 3.565 1.00 15.00 C ATOM 75 C TYR A 240 -3.866 3.996 3.358 1.00 15.00 C ATOM 76 O TYR A 240 -4.223 5.068 2.875 1.00 15.00 O ATOM 77 CB TYR A 240 -5.452 2.423 2.226 1.00 15.00 C ATOM 78 CG TYR A 240 -6.309 1.195 2.361 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.741 -0.027 2.675 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.683 1.262 2.230 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.521 -1.153 2.846 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.468 0.151 2.407 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.887 -1.056 2.714 1.00 15.00 C ATOM 84 OH TYR A 240 -8.675 -2.168 2.888 1.00 15.00 O ATOM 0 H TYR A 240 -6.580 3.889 4.163 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.303 2.015 3.987 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.050 3.238 1.817 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.650 2.227 1.514 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.670 -0.101 2.788 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.147 2.206 1.984 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -6.063 -2.102 3.081 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.541 0.225 2.305 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.616 -1.925 2.760 1.00 15.00 H new ATOM 94 N GLU A 241 -2.627 3.744 3.739 1.00 15.00 N ATOM 95 CA GLU A 241 -1.535 4.668 3.512 1.00 15.00 C ATOM 96 C GLU A 241 -0.905 4.358 2.162 1.00 15.00 C ATOM 97 O GLU A 241 -0.314 3.297 1.971 1.00 15.00 O ATOM 98 CB GLU A 241 -0.493 4.522 4.631 1.00 15.00 C ATOM 99 CG GLU A 241 0.819 5.248 4.373 1.00 15.00 C ATOM 100 CD GLU A 241 0.735 6.740 4.606 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.105 7.444 3.792 1.00 15.00 O ATOM 102 OE2 GLU A 241 1.319 7.218 5.600 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.350 2.887 4.217 1.00 15.00 H new ATOM 0 HA GLU A 241 -1.905 5.693 3.514 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.923 4.895 5.561 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -0.284 3.463 4.779 1.00 15.00 H new ATOM 0 HG2 GLU A 241 1.591 4.830 5.019 1.00 15.00 H new ATOM 0 HG3 GLU A 241 1.131 5.065 3.345 1.00 15.00 H new ATOM 109 N GLN A 242 -1.066 5.254 1.214 1.00 15.00 N ATOM 110 CA GLN A 242 -0.480 5.062 -0.095 1.00 15.00 C ATOM 111 C GLN A 242 0.905 5.672 -0.099 1.00 15.00 C ATOM 112 O GLN A 242 1.058 6.894 -0.136 1.00 15.00 O ATOM 113 CB GLN A 242 -1.370 5.681 -1.179 1.00 15.00 C ATOM 114 CG GLN A 242 -0.927 5.400 -2.616 1.00 15.00 C ATOM 115 CD GLN A 242 0.073 6.411 -3.158 1.00 15.00 C ATOM 116 OE1 GLN A 242 -0.315 7.455 -3.681 1.00 15.00 O ATOM 117 NE2 GLN A 242 1.359 6.099 -3.069 1.00 15.00 N ATOM 0 H GLN A 242 -1.595 6.119 1.323 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.400 3.998 -0.316 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.387 5.310 -1.049 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.403 6.760 -1.029 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.485 4.405 -2.662 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.805 5.389 -3.262 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.642 5.224 -2.628 1.00 15.00 H new ATOM 0 HE22 GLN A 242 2.065 6.734 -3.441 1.00 15.00 H new ATOM 126 N ARG A 243 1.913 4.824 -0.002 1.00 15.00 N ATOM 127 CA ARG A 243 3.280 5.300 0.053 1.00 15.00 C ATOM 128 C ARG A 243 3.964 5.212 -1.278 1.00 15.00 C ATOM 129 O ARG A 243 3.712 4.313 -2.083 1.00 15.00 O ATOM 130 CB ARG A 243 4.103 4.568 1.102 1.00 15.00 C ATOM 131 CG ARG A 243 3.974 5.205 2.454 1.00 15.00 C ATOM 132 CD ARG A 243 4.869 4.544 3.482 1.00 15.00 C ATOM 133 NE ARG A 243 4.658 5.081 4.828 1.00 15.00 N ATOM 134 CZ ARG A 243 5.547 5.834 5.479 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.651 6.247 4.865 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 5.310 6.200 6.732 1.00 15.00 N ATOM 0 H ARG A 243 1.811 3.810 0.040 1.00 15.00 H new ATOM 0 HA ARG A 243 3.215 6.350 0.339 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.780 3.528 1.157 1.00 15.00 H new ATOM 0 HB3 ARG A 243 5.151 4.560 0.802 1.00 15.00 H new ATOM 0 HG2 ARG A 243 4.226 6.263 2.381 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.937 5.146 2.785 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.681 3.470 3.488 1.00 15.00 H new ATOM 0 HD3 ARG A 243 5.912 4.684 3.197 1.00 15.00 H new ATOM 0 HE ARG A 243 3.778 4.866 5.297 1.00 15.00 H new ATOM 0 HH11 ARG A 243 6.821 5.989 3.893 1.00 15.00 H new ATOM 0 HH12 ARG A 243 7.328 6.822 5.366 1.00 15.00 H new ATOM 0 HH21 ARG A 243 4.450 5.906 7.195 1.00 15.00 H new ATOM 0 HH22 ARG A 243 5.988 6.775 7.232 1.00 15.00 H new ATOM 150 N THR A 244 4.855 6.151 -1.470 1.00 15.00 N ATOM 151 CA THR A 244 5.616 6.248 -2.697 1.00 15.00 C ATOM 152 C THR A 244 7.114 6.207 -2.394 1.00 15.00 C ATOM 153 O THR A 244 7.728 7.224 -2.073 1.00 15.00 O ATOM 154 CB THR A 244 5.268 7.538 -3.467 1.00 15.00 C ATOM 155 OG1 THR A 244 3.841 7.694 -3.541 1.00 15.00 O ATOM 156 CG2 THR A 244 5.847 7.506 -4.874 1.00 15.00 C ATOM 0 H THR A 244 5.076 6.871 -0.783 1.00 15.00 H new ATOM 0 HA THR A 244 5.354 5.396 -3.324 1.00 15.00 H new ATOM 0 HB THR A 244 5.703 8.381 -2.930 1.00 15.00 H new ATOM 0 HG1 THR A 244 3.627 8.516 -4.030 1.00 15.00 H new ATOM 0 HG21 THR A 244 5.587 8.427 -5.395 1.00 15.00 H new ATOM 0 HG22 THR A 244 6.932 7.414 -4.819 1.00 15.00 H new ATOM 0 HG23 THR A 244 5.437 6.654 -5.417 1.00 15.00 H new ATOM 164 N THR A 245 7.678 5.011 -2.463 1.00 15.00 N ATOM 165 CA THR A 245 9.095 4.802 -2.203 1.00 15.00 C ATOM 166 C THR A 245 9.881 4.812 -3.515 1.00 15.00 C ATOM 167 O THR A 245 9.331 4.494 -4.571 1.00 15.00 O ATOM 168 CB THR A 245 9.353 3.493 -1.418 1.00 15.00 C ATOM 169 OG1 THR A 245 10.760 3.309 -1.198 1.00 15.00 O ATOM 170 CG2 THR A 245 8.799 2.294 -2.157 1.00 15.00 C ATOM 0 H THR A 245 7.169 4.160 -2.700 1.00 15.00 H new ATOM 0 HA THR A 245 9.441 5.624 -1.577 1.00 15.00 H new ATOM 0 HB THR A 245 8.843 3.578 -0.458 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.907 2.478 -0.699 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.995 1.389 -1.581 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.724 2.413 -2.290 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.279 2.214 -3.133 1.00 15.00 H new ATOM 178 N VAL A 246 11.147 5.235 -3.426 1.00 15.00 N ATOM 179 CA VAL A 246 12.049 5.403 -4.580 1.00 15.00 C ATOM 180 C VAL A 246 11.959 4.289 -5.629 1.00 15.00 C ATOM 181 O VAL A 246 12.287 4.521 -6.793 1.00 15.00 O ATOM 182 CB VAL A 246 13.519 5.516 -4.124 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.767 6.842 -3.423 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.899 4.351 -3.219 1.00 15.00 C ATOM 0 H VAL A 246 11.585 5.475 -2.537 1.00 15.00 H new ATOM 0 HA VAL A 246 11.710 6.325 -5.053 1.00 15.00 H new ATOM 0 HB VAL A 246 14.150 5.476 -5.012 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.810 6.899 -3.111 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.548 7.662 -4.107 1.00 15.00 H new ATOM 0 HG13 VAL A 246 13.121 6.917 -2.548 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.940 4.454 -2.911 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.258 4.351 -2.337 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.772 3.413 -3.760 1.00 15.00 H new ATOM 194 N GLN A 247 11.534 3.090 -5.228 1.00 15.00 N ATOM 195 CA GLN A 247 11.359 1.981 -6.170 1.00 15.00 C ATOM 196 C GLN A 247 10.441 2.383 -7.335 1.00 15.00 C ATOM 197 O GLN A 247 10.457 1.752 -8.391 1.00 15.00 O ATOM 198 CB GLN A 247 10.793 0.743 -5.464 1.00 15.00 C ATOM 199 CG GLN A 247 9.391 0.944 -4.923 1.00 15.00 C ATOM 200 CD GLN A 247 8.714 -0.344 -4.502 1.00 15.00 C ATOM 201 OE1 GLN A 247 7.496 -0.456 -4.579 1.00 15.00 O ATOM 202 NE2 GLN A 247 9.483 -1.313 -4.042 1.00 15.00 N ATOM 0 H GLN A 247 11.305 2.861 -4.261 1.00 15.00 H new ATOM 0 HA GLN A 247 12.343 1.736 -6.571 1.00 15.00 H new ATOM 0 HB2 GLN A 247 10.788 -0.094 -6.163 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.455 0.468 -4.643 1.00 15.00 H new ATOM 0 HG2 GLN A 247 9.434 1.619 -4.068 1.00 15.00 H new ATOM 0 HG3 GLN A 247 8.783 1.432 -5.685 1.00 15.00 H new ATOM 0 HE21 GLN A 247 10.493 -1.182 -3.993 1.00 15.00 H new ATOM 0 HE22 GLN A 247 9.067 -2.192 -3.736 1.00 15.00 H new ATOM 211 N GLY A 248 9.625 3.415 -7.118 1.00 15.00 N ATOM 212 CA GLY A 248 8.809 3.968 -8.187 1.00 15.00 C ATOM 213 C GLY A 248 7.471 3.276 -8.329 1.00 15.00 C ATOM 214 O GLY A 248 6.832 3.356 -9.378 1.00 15.00 O ATOM 0 H GLY A 248 9.515 3.879 -6.216 1.00 15.00 H new ATOM 0 HA2 GLY A 248 8.645 5.029 -7.999 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.353 3.891 -9.128 1.00 15.00 H new ATOM 218 N GLN A 249 7.038 2.603 -7.275 1.00 15.00 N ATOM 219 CA GLN A 249 5.793 1.847 -7.313 1.00 15.00 C ATOM 220 C GLN A 249 4.936 2.214 -6.109 1.00 15.00 C ATOM 221 O GLN A 249 5.460 2.422 -5.012 1.00 15.00 O ATOM 222 CB GLN A 249 6.090 0.346 -7.300 1.00 15.00 C ATOM 223 CG GLN A 249 7.293 -0.042 -8.128 1.00 15.00 C ATOM 224 CD GLN A 249 7.631 -1.517 -8.062 1.00 15.00 C ATOM 225 OE1 GLN A 249 7.116 -2.324 -8.839 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.512 -1.878 -7.135 1.00 15.00 N ATOM 0 H GLN A 249 7.529 2.564 -6.382 1.00 15.00 H new ATOM 0 HA GLN A 249 5.254 2.092 -8.228 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.250 0.025 -6.271 1.00 15.00 H new ATOM 0 HB3 GLN A 249 5.217 -0.191 -7.670 1.00 15.00 H new ATOM 0 HG2 GLN A 249 7.111 0.233 -9.167 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.155 0.534 -7.792 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.914 -1.177 -6.513 1.00 15.00 H new ATOM 0 HE22 GLN A 249 8.787 -2.856 -7.046 1.00 15.00 H new ATOM 235 N VAL A 250 3.628 2.284 -6.306 1.00 15.00 N ATOM 236 CA VAL A 250 2.716 2.624 -5.223 1.00 15.00 C ATOM 237 C VAL A 250 2.226 1.365 -4.506 1.00 15.00 C ATOM 238 O VAL A 250 1.858 0.375 -5.143 1.00 15.00 O ATOM 239 CB VAL A 250 1.508 3.452 -5.724 1.00 15.00 C ATOM 240 CG1 VAL A 250 1.971 4.812 -6.227 1.00 15.00 C ATOM 241 CG2 VAL A 250 0.744 2.708 -6.814 1.00 15.00 C ATOM 0 H VAL A 250 3.175 2.110 -7.203 1.00 15.00 H new ATOM 0 HA VAL A 250 3.275 3.239 -4.518 1.00 15.00 H new ATOM 0 HB VAL A 250 0.829 3.602 -4.885 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.111 5.383 -6.576 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.461 5.352 -5.417 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.674 4.676 -7.049 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.099 3.314 -7.146 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.408 2.516 -7.657 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.376 1.761 -6.419 1.00 15.00 H new ATOM 251 N TYR A 251 2.231 1.403 -3.183 1.00 15.00 N ATOM 252 CA TYR A 251 1.828 0.251 -2.390 1.00 15.00 C ATOM 253 C TYR A 251 0.891 0.694 -1.279 1.00 15.00 C ATOM 254 O TYR A 251 1.107 1.730 -0.644 1.00 15.00 O ATOM 255 CB TYR A 251 3.079 -0.468 -1.861 1.00 15.00 C ATOM 256 CG TYR A 251 3.909 0.287 -0.841 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.564 0.313 0.507 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.072 0.929 -1.227 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.353 0.961 1.430 1.00 15.00 C ATOM 260 CE2 TYR A 251 5.872 1.570 -0.305 1.00 15.00 C ATOM 261 CZ TYR A 251 5.510 1.583 1.022 1.00 15.00 C ATOM 262 OH TYR A 251 6.313 2.208 1.945 1.00 15.00 O ATOM 0 H TYR A 251 2.509 2.218 -2.636 1.00 15.00 H new ATOM 0 HA TYR A 251 1.279 -0.462 -3.005 1.00 15.00 H new ATOM 0 HB2 TYR A 251 2.768 -1.413 -1.416 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.718 -0.711 -2.710 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.662 -0.183 0.834 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.358 0.928 -2.268 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.065 0.981 2.471 1.00 15.00 H new ATOM 0 HE2 TYR A 251 6.780 2.060 -0.624 1.00 15.00 H new ATOM 0 HH TYR A 251 7.091 2.596 1.492 1.00 15.00 H new ATOM 272 N PHE A 252 -0.159 -0.080 -1.062 1.00 15.00 N ATOM 273 CA PHE A 252 -1.189 0.293 -0.108 1.00 15.00 C ATOM 274 C PHE A 252 -0.901 -0.276 1.267 1.00 15.00 C ATOM 275 O PHE A 252 -0.865 -1.492 1.460 1.00 15.00 O ATOM 276 CB PHE A 252 -2.557 -0.150 -0.614 1.00 15.00 C ATOM 277 CG PHE A 252 -2.962 0.603 -1.857 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.859 1.986 -1.896 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.393 -0.061 -3.000 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.190 2.691 -3.037 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.719 0.643 -4.144 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.616 2.018 -4.164 1.00 15.00 C ATOM 0 H PHE A 252 -0.320 -0.970 -1.533 1.00 15.00 H new ATOM 0 HA PHE A 252 -1.191 1.379 -0.012 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.538 -1.219 -0.826 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.302 0.007 0.166 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.515 2.519 -1.022 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -3.474 -1.138 -2.994 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.115 3.768 -3.047 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -4.055 0.115 -5.024 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.868 2.567 -5.059 1.00 15.00 H new ATOM 292 N LEU A 253 -0.691 0.624 2.213 1.00 15.00 N ATOM 293 CA LEU A 253 -0.302 0.259 3.558 1.00 15.00 C ATOM 294 C LEU A 253 -1.458 0.438 4.537 1.00 15.00 C ATOM 295 O LEU A 253 -1.734 1.541 4.996 1.00 15.00 O ATOM 296 CB LEU A 253 0.879 1.123 4.003 1.00 15.00 C ATOM 297 CG LEU A 253 2.024 0.401 4.713 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.082 1.402 5.129 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.538 -0.366 5.930 1.00 15.00 C ATOM 0 H LEU A 253 -0.786 1.629 2.066 1.00 15.00 H new ATOM 0 HA LEU A 253 -0.016 -0.793 3.554 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.285 1.624 3.124 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.502 1.900 4.668 1.00 15.00 H new ATOM 0 HG LEU A 253 2.448 -0.318 4.013 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.896 0.882 5.635 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.469 1.910 4.246 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.643 2.135 5.806 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.382 -0.865 6.406 1.00 15.00 H new ATOM 0 HD22 LEU A 253 1.079 0.326 6.637 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.803 -1.110 5.622 1.00 15.00 H new ATOM 311 N HIS A 254 -2.162 -0.638 4.820 1.00 15.00 N ATOM 312 CA HIS A 254 -3.134 -0.635 5.902 1.00 15.00 C ATOM 313 C HIS A 254 -2.570 -1.428 7.050 1.00 15.00 C ATOM 314 O HIS A 254 -2.741 -2.649 7.104 1.00 15.00 O ATOM 315 CB HIS A 254 -4.478 -1.249 5.468 1.00 15.00 C ATOM 316 CG HIS A 254 -5.459 -1.482 6.591 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.659 -2.722 7.165 1.00 15.00 N ATOM 318 CD2 HIS A 254 -6.283 -0.635 7.249 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.553 -2.623 8.131 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.950 -1.369 8.201 1.00 15.00 N ATOM 0 H HIS A 254 -2.083 -1.524 4.321 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.324 0.398 6.195 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.940 -0.592 4.731 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.284 -2.199 4.971 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -6.396 0.423 7.061 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.900 -3.432 8.757 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.641 -1.002 8.856 1.00 15.00 H new ATOM 329 N THR A 255 -1.857 -0.793 7.957 1.00 15.00 N ATOM 330 CA THR A 255 -1.331 -1.581 9.031 1.00 15.00 C ATOM 331 C THR A 255 -2.266 -1.533 10.226 1.00 15.00 C ATOM 332 O THR A 255 -2.178 -0.684 11.110 1.00 15.00 O ATOM 333 CB THR A 255 0.098 -1.127 9.422 1.00 15.00 C ATOM 334 OG1 THR A 255 0.516 -1.759 10.640 1.00 15.00 O ATOM 335 CG2 THR A 255 0.183 0.389 9.570 1.00 15.00 C ATOM 0 H THR A 255 -1.642 0.204 7.971 1.00 15.00 H new ATOM 0 HA THR A 255 -1.259 -2.614 8.689 1.00 15.00 H new ATOM 0 HB THR A 255 0.766 -1.429 8.616 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.421 -1.461 10.869 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.199 0.671 9.845 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.082 0.862 8.625 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.507 0.718 10.347 1.00 15.00 H new ATOM 343 N GLN A 256 -3.201 -2.459 10.184 1.00 15.00 N ATOM 344 CA GLN A 256 -3.815 -3.051 11.345 1.00 15.00 C ATOM 345 C GLN A 256 -3.154 -4.397 11.533 1.00 15.00 C ATOM 346 O GLN A 256 -2.709 -4.774 12.613 1.00 15.00 O ATOM 347 CB GLN A 256 -5.320 -3.212 11.129 1.00 15.00 C ATOM 348 CG GLN A 256 -6.064 -3.827 12.299 1.00 15.00 C ATOM 349 CD GLN A 256 -7.512 -4.122 11.963 1.00 15.00 C ATOM 350 OE1 GLN A 256 -7.850 -4.395 10.810 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.372 -4.080 12.967 1.00 15.00 N ATOM 0 H GLN A 256 -3.565 -2.831 9.307 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.686 -2.424 12.227 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.750 -2.233 10.916 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.483 -3.830 10.246 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.567 -4.749 12.599 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -6.021 -3.149 13.152 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -8.048 -3.849 13.906 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.359 -4.278 12.802 1.00 15.00 H new ATOM 360 N THR A 257 -3.137 -5.119 10.412 1.00 15.00 N ATOM 361 CA THR A 257 -2.535 -6.430 10.312 1.00 15.00 C ATOM 362 C THR A 257 -1.171 -6.366 9.726 1.00 15.00 C ATOM 363 O THR A 257 -0.352 -7.280 9.760 1.00 15.00 O ATOM 364 CB THR A 257 -3.444 -7.421 9.568 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.703 -6.929 8.242 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.767 -7.583 10.299 1.00 15.00 C ATOM 0 H THR A 257 -3.551 -4.795 9.538 1.00 15.00 H new ATOM 0 HA THR A 257 -2.422 -6.812 11.327 1.00 15.00 H new ATOM 0 HB THR A 257 -2.941 -8.387 9.521 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.281 -7.561 7.766 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.398 -8.288 9.758 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.583 -7.959 11.305 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.270 -6.618 10.359 1.00 15.00 H new ATOM 374 N GLY A 258 -1.011 -5.244 9.224 1.00 15.00 N ATOM 375 CA GLY A 258 0.138 -4.876 8.423 1.00 15.00 C ATOM 376 C GLY A 258 -0.036 -5.212 6.954 1.00 15.00 C ATOM 377 O GLY A 258 0.555 -6.165 6.451 1.00 15.00 O ATOM 0 H GLY A 258 -1.684 -4.486 9.338 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.320 -3.806 8.527 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.021 -5.388 8.806 1.00 15.00 H new ATOM 381 N VAL A 259 -0.863 -4.441 6.265 1.00 15.00 N ATOM 382 CA VAL A 259 -1.011 -4.596 4.818 1.00 15.00 C ATOM 383 C VAL A 259 -0.029 -3.728 4.045 1.00 15.00 C ATOM 384 O VAL A 259 0.046 -2.521 4.243 1.00 15.00 O ATOM 385 CB VAL A 259 -2.448 -4.290 4.320 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.490 -4.198 2.801 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.392 -5.380 4.780 1.00 15.00 C ATOM 0 H VAL A 259 -1.439 -3.707 6.676 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.795 -5.647 4.625 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.756 -3.331 4.737 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.508 -3.983 2.478 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.827 -3.400 2.466 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.165 -5.145 2.370 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.400 -5.161 4.428 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.066 -6.338 4.375 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.390 -5.427 5.869 1.00 15.00 H new ATOM 397 N SER A 260 0.721 -4.381 3.181 1.00 15.00 N ATOM 398 CA SER A 260 1.529 -3.712 2.167 1.00 15.00 C ATOM 399 C SER A 260 1.372 -4.475 0.864 1.00 15.00 C ATOM 400 O SER A 260 1.987 -5.520 0.661 1.00 15.00 O ATOM 401 CB SER A 260 3.012 -3.605 2.559 1.00 15.00 C ATOM 402 OG SER A 260 3.435 -4.735 3.309 1.00 15.00 O ATOM 0 H SER A 260 0.791 -5.398 3.158 1.00 15.00 H new ATOM 0 HA SER A 260 1.176 -2.686 2.062 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.622 -3.515 1.660 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.170 -2.699 3.144 1.00 15.00 H new ATOM 0 HG SER A 260 4.382 -4.638 3.541 1.00 15.00 H new ATOM 408 N THR A 261 0.498 -3.984 0.009 1.00 15.00 N ATOM 409 CA THR A 261 0.082 -4.753 -1.149 1.00 15.00 C ATOM 410 C THR A 261 0.021 -3.899 -2.408 1.00 15.00 C ATOM 411 O THR A 261 -0.199 -2.684 -2.347 1.00 15.00 O ATOM 412 CB THR A 261 -1.284 -5.427 -0.897 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.580 -6.363 -1.939 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.400 -4.395 -0.802 1.00 15.00 C ATOM 0 H THR A 261 0.065 -3.064 0.091 1.00 15.00 H new ATOM 0 HA THR A 261 0.835 -5.525 -1.308 1.00 15.00 H new ATOM 0 HB THR A 261 -1.221 -5.955 0.054 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.841 -7.221 -1.544 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.349 -4.901 -0.624 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.194 -3.711 0.021 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.457 -3.834 -1.735 1.00 15.00 H new ATOM 422 N TRP A 262 0.262 -4.549 -3.541 1.00 15.00 N ATOM 423 CA TRP A 262 0.234 -3.891 -4.838 1.00 15.00 C ATOM 424 C TRP A 262 -1.187 -3.538 -5.259 1.00 15.00 C ATOM 425 O TRP A 262 -1.421 -2.484 -5.854 1.00 15.00 O ATOM 426 CB TRP A 262 0.850 -4.787 -5.913 1.00 15.00 C ATOM 427 CG TRP A 262 2.324 -4.975 -5.789 1.00 15.00 C ATOM 428 CD1 TRP A 262 2.993 -6.129 -5.512 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.317 -3.977 -5.837 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.317 -5.945 -5.555 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.546 -4.641 -5.710 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.313 -2.594 -6.008 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.728 -4.000 -5.738 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.527 -1.957 -5.981 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.699 -2.688 -5.846 1.00 15.00 C ATOM 0 H TRP A 262 0.482 -5.544 -3.584 1.00 15.00 H new ATOM 0 HA TRP A 262 0.815 -2.974 -4.738 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.367 -5.763 -5.875 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.632 -4.361 -6.892 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.516 -7.071 -5.287 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.027 -6.674 -5.482 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.393 -2.047 -6.155 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.662 -4.539 -5.675 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.571 -0.881 -6.065 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.637 -2.152 -5.829 1.00 15.00 H new ATOM 446 N HIS A 263 -2.126 -4.435 -4.982 1.00 15.00 N ATOM 447 CA HIS A 263 -3.492 -4.267 -5.462 1.00 15.00 C ATOM 448 C HIS A 263 -4.235 -3.251 -4.608 1.00 15.00 C ATOM 449 O HIS A 263 -4.122 -3.256 -3.381 1.00 15.00 O ATOM 450 CB HIS A 263 -4.251 -5.613 -5.470 1.00 15.00 C ATOM 451 CG HIS A 263 -4.862 -6.008 -4.152 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.193 -5.799 -3.842 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.316 -6.587 -3.060 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.428 -6.229 -2.616 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.308 -6.711 -2.119 1.00 15.00 N ATOM 0 H HIS A 263 -1.969 -5.280 -4.432 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.443 -3.899 -6.487 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -5.041 -5.563 -6.219 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.564 -6.398 -5.784 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.885 -5.379 -4.463 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.287 -6.896 -2.948 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.379 -6.192 -2.106 1.00 15.00 H new ATOM 464 N ASP A 264 -4.987 -2.382 -5.265 1.00 15.00 N ATOM 465 CA ASP A 264 -5.914 -1.502 -4.569 1.00 15.00 C ATOM 466 C ASP A 264 -6.879 -2.370 -3.771 1.00 15.00 C ATOM 467 O ASP A 264 -7.501 -3.267 -4.315 1.00 15.00 O ATOM 468 CB ASP A 264 -6.662 -0.621 -5.584 1.00 15.00 C ATOM 469 CG ASP A 264 -7.581 0.410 -4.953 1.00 15.00 C ATOM 470 OD1 ASP A 264 -8.236 0.097 -3.943 1.00 15.00 O ATOM 471 OD2 ASP A 264 -7.673 1.539 -5.489 1.00 15.00 O1- ATOM 0 H ASP A 264 -4.974 -2.267 -6.278 1.00 15.00 H new ATOM 0 HA ASP A 264 -5.380 -0.837 -3.890 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.932 -0.107 -6.209 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -7.250 -1.262 -6.241 1.00 15.00 H new ATOM 476 N PRO A 265 -6.985 -2.159 -2.463 1.00 15.00 N ATOM 477 CA PRO A 265 -7.817 -2.995 -1.605 1.00 15.00 C ATOM 478 C PRO A 265 -9.299 -2.813 -1.862 1.00 15.00 C ATOM 479 O PRO A 265 -10.122 -3.602 -1.400 1.00 15.00 O ATOM 480 CB PRO A 265 -7.441 -2.571 -0.187 1.00 15.00 C ATOM 481 CG PRO A 265 -6.221 -1.718 -0.338 1.00 15.00 C ATOM 482 CD PRO A 265 -6.307 -1.111 -1.702 1.00 15.00 C ATOM 0 HA PRO A 265 -7.641 -4.054 -1.791 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -8.252 -2.017 0.285 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -7.239 -3.438 0.442 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -6.187 -0.946 0.431 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.314 -2.313 -0.232 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.873 -0.179 -1.698 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -5.322 -0.884 -2.110 1.00 15.00 H new ATOM 490 N ARG A 266 -9.630 -1.753 -2.568 1.00 15.00 N ATOM 491 CA ARG A 266 -10.987 -1.518 -3.010 1.00 15.00 C ATOM 492 C ARG A 266 -11.285 -2.427 -4.190 1.00 15.00 C ATOM 493 O ARG A 266 -12.425 -2.566 -4.635 1.00 15.00 O ATOM 494 CB ARG A 266 -11.122 -0.071 -3.430 1.00 15.00 C ATOM 495 CG ARG A 266 -12.552 0.422 -3.522 1.00 15.00 C ATOM 496 CD ARG A 266 -13.084 0.859 -2.170 1.00 15.00 C ATOM 497 NE ARG A 266 -14.429 1.429 -2.265 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.889 2.401 -1.473 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.105 2.926 -0.536 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -16.128 2.852 -1.629 1.00 15.00 N ATOM 0 H ARG A 266 -8.967 -1.031 -2.851 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.690 -1.729 -2.204 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.580 0.553 -2.720 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.642 0.060 -4.400 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.605 1.257 -4.221 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -13.185 -0.370 -3.923 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -13.100 0.004 -1.494 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.408 1.596 -1.736 1.00 15.00 H new ATOM 0 HE ARG A 266 -15.054 1.060 -2.981 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -13.150 2.586 -0.421 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -14.459 3.668 0.068 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.727 2.456 -2.353 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.480 3.594 -1.025 1.00 15.00 H new ATOM 514 N ILE A 267 -10.225 -3.028 -4.702 1.00 15.00 N ATOM 515 CA ILE A 267 -10.334 -3.925 -5.849 1.00 15.00 C ATOM 516 C ILE A 267 -9.687 -5.285 -5.561 1.00 15.00 C ATOM 517 O ILE A 267 -10.437 -6.226 -5.237 1.00 15.00 O ATOM 518 CB ILE A 267 -9.771 -3.304 -7.163 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.280 -2.954 -7.062 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.569 -2.064 -7.534 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.696 -2.409 -8.348 1.00 15.00 C ATOM 522 OXT ILE A 267 -8.445 -5.418 -5.645 1.00 15.00 O ATOM 0 H ILE A 267 -9.277 -2.914 -4.344 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.400 -4.081 -6.011 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.871 -4.060 -7.942 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -8.141 -2.219 -6.270 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.725 -3.846 -6.770 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -10.169 -1.636 -8.453 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.614 -2.335 -7.684 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.496 -1.331 -6.731 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.640 -2.184 -8.201 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.803 -3.151 -9.139 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -8.225 -1.499 -8.631 1.00 15.00 H new ATOM 535 N SER B 210 9.581 2.569 12.882 1.00 15.00 N ATOM 536 CA SER B 210 8.550 3.303 12.122 1.00 15.00 C ATOM 537 C SER B 210 8.735 3.078 10.624 1.00 15.00 C ATOM 538 O SER B 210 8.204 3.825 9.800 1.00 15.00 O ATOM 539 CB SER B 210 8.654 4.789 12.456 1.00 15.00 C ATOM 540 OG SER B 210 8.615 4.991 13.862 1.00 15.00 O ATOM 0 HA SER B 210 7.561 2.937 12.398 1.00 15.00 H new ATOM 0 HB2 SER B 210 9.581 5.194 12.051 1.00 15.00 H new ATOM 0 HB3 SER B 210 7.836 5.332 11.983 1.00 15.00 H new ATOM 0 HG SER B 210 9.058 4.242 14.313 1.00 15.00 H new ATOM 548 N ASP B 211 9.459 2.019 10.276 1.00 15.00 N ATOM 549 CA ASP B 211 9.845 1.779 8.893 1.00 15.00 C ATOM 550 C ASP B 211 8.918 0.766 8.238 1.00 15.00 C ATOM 551 O ASP B 211 8.842 -0.382 8.673 1.00 15.00 O ATOM 552 CB ASP B 211 11.283 1.253 8.826 1.00 15.00 C ATOM 553 CG ASP B 211 12.212 1.971 9.778 1.00 15.00 C ATOM 554 OD1 ASP B 211 12.676 3.081 9.449 1.00 15.00 O ATOM 555 OD2 ASP B 211 12.473 1.433 10.873 1.00 15.00 O1- ATOM 0 H ASP B 211 9.790 1.314 10.934 1.00 15.00 H new ATOM 0 HA ASP B 211 9.773 2.727 8.359 1.00 15.00 H new ATOM 0 HB2 ASP B 211 11.287 0.187 9.056 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.658 1.361 7.808 1.00 15.00 H new ATOM 560 N PRO B 212 8.180 1.176 7.202 1.00 15.00 N ATOM 561 CA PRO B 212 7.404 0.267 6.380 1.00 15.00 C ATOM 562 C PRO B 212 8.226 -0.249 5.212 1.00 15.00 C ATOM 563 O PRO B 212 9.024 0.488 4.631 1.00 15.00 O ATOM 564 CB PRO B 212 6.253 1.138 5.864 1.00 15.00 C ATOM 565 CG PRO B 212 6.576 2.549 6.248 1.00 15.00 C ATOM 566 CD PRO B 212 7.996 2.558 6.762 1.00 15.00 C ATOM 0 HA PRO B 212 7.070 -0.611 6.933 1.00 15.00 H new ATOM 0 HB2 PRO B 212 6.152 1.045 4.783 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.305 0.825 6.301 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.473 3.214 5.391 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.887 2.907 7.014 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.708 2.835 5.984 1.00 15.00 H new ATOM 0 HD3 PRO B 212 8.127 3.266 7.581 1.00 15.00 H new ATOM 574 N GLY B 213 8.010 -1.498 4.847 1.00 15.00 N ATOM 575 CA GLY B 213 8.754 -2.073 3.754 1.00 15.00 C ATOM 576 C GLY B 213 8.062 -1.862 2.428 1.00 15.00 C ATOM 577 O GLY B 213 6.853 -1.625 2.379 1.00 15.00 O ATOM 0 H GLY B 213 7.334 -2.123 5.287 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.749 -1.629 3.719 1.00 15.00 H new ATOM 0 HA3 GLY B 213 8.887 -3.141 3.928 1.00 15.00 H new