USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 315 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 280 SER OG : rot -2:sc= 0.603! USER MOD Set 1.2: A 281 MET CE :methyl 177:sc= -10.9! (180deg=-11!) USER MOD Single : A 263 MET CE :methyl 163:sc= -0.0142 (180deg=-0.174) USER MOD Single : A 264 THR OG1 : rot 180:sc= 0 USER MOD Single : A 266 SER OG : rot 180:sc= 0 USER MOD Single : A 267 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 268 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 273 THR OG1 : rot 69:sc= -1.1! USER MOD Single : A 279 SER OG : rot 180:sc= 0 USER MOD Single : A 282 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 286 GLN : amide:sc= -6.59! C(o=-6.6!,f=-4.4!) USER MOD Single : A 289 TYR OH : rot 110:sc= 0.727 USER MOD Single : A 291 MET CE :methyl -164:sc= -9.8! (180deg=-11.5!) USER MOD Single : A 292 GLN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 293 MET CE :methyl -157:sc= -0.307 (180deg=-1.62) USER MOD Single : A 294 SER OG : rot 180:sc= 0 USER MOD Single : A 296 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 302 GLN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 305 SER OG : rot 90:sc= -0.759! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 263 24.568 -4.864 -2.635 1.00 0.00 N ATOM 2 CA MET A 263 24.712 -5.844 -1.528 1.00 0.00 C ATOM 3 C MET A 263 25.285 -7.166 -2.032 1.00 0.00 C ATOM 4 O MET A 263 26.332 -7.616 -1.568 1.00 0.00 O ATOM 5 CB MET A 263 23.337 -6.072 -0.897 1.00 0.00 C ATOM 6 CG MET A 263 22.643 -4.788 -0.472 1.00 0.00 C ATOM 7 SD MET A 263 21.159 -4.449 -1.439 1.00 0.00 S ATOM 8 CE MET A 263 20.091 -5.780 -0.896 1.00 0.00 C ATOM 0 HA MET A 263 25.405 -5.447 -0.787 1.00 0.00 H new ATOM 0 HB2 MET A 263 22.703 -6.600 -1.609 1.00 0.00 H new ATOM 0 HB3 MET A 263 23.448 -6.720 -0.028 1.00 0.00 H new ATOM 0 HG2 MET A 263 22.377 -4.855 0.583 1.00 0.00 H new ATOM 0 HG3 MET A 263 23.337 -3.954 -0.574 1.00 0.00 H new ATOM 0 HE1 MET A 263 19.059 -5.548 -1.158 1.00 0.00 H new ATOM 0 HE2 MET A 263 20.389 -6.708 -1.384 1.00 0.00 H new ATOM 0 HE3 MET A 263 20.174 -5.895 0.185 1.00 0.00 H new ATOM 20 N THR A 264 24.591 -7.780 -2.983 1.00 0.00 N ATOM 21 CA THR A 264 25.030 -9.049 -3.552 1.00 0.00 C ATOM 22 C THR A 264 24.900 -9.039 -5.071 1.00 0.00 C ATOM 23 O THR A 264 24.995 -10.081 -5.719 1.00 0.00 O ATOM 24 CB THR A 264 24.214 -10.202 -2.966 1.00 0.00 C ATOM 25 OG1 THR A 264 22.844 -9.850 -2.873 1.00 0.00 O ATOM 26 CG2 THR A 264 24.674 -10.622 -1.588 1.00 0.00 C ATOM 0 H THR A 264 23.722 -7.420 -3.377 1.00 0.00 H new ATOM 0 HA THR A 264 26.081 -9.189 -3.297 1.00 0.00 H new ATOM 0 HB THR A 264 24.362 -11.037 -3.650 1.00 0.00 H new ATOM 0 HG1 THR A 264 22.338 -10.601 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 264 24.053 -11.444 -1.232 1.00 0.00 H new ATOM 0 HG22 THR A 264 25.713 -10.947 -1.635 1.00 0.00 H new ATOM 0 HG23 THR A 264 24.588 -9.779 -0.903 1.00 0.00 H new ATOM 34 N ILE A 265 24.685 -7.854 -5.632 1.00 0.00 N ATOM 35 CA ILE A 265 24.543 -7.706 -7.075 1.00 0.00 C ATOM 36 C ILE A 265 25.669 -6.855 -7.651 1.00 0.00 C ATOM 37 O ILE A 265 25.434 -5.972 -8.476 1.00 0.00 O ATOM 38 CB ILE A 265 23.192 -7.065 -7.443 1.00 0.00 C ATOM 39 CG1 ILE A 265 22.073 -7.655 -6.582 1.00 0.00 C ATOM 40 CG2 ILE A 265 22.894 -7.267 -8.921 1.00 0.00 C ATOM 41 CD1 ILE A 265 21.235 -6.607 -5.881 1.00 0.00 C ATOM 0 H ILE A 265 24.605 -6.982 -5.109 1.00 0.00 H new ATOM 0 HA ILE A 265 24.590 -8.707 -7.503 1.00 0.00 H new ATOM 0 HB ILE A 265 23.249 -5.994 -7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 265 21.425 -8.266 -7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 265 22.511 -8.318 -5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 265 21.936 -6.808 -9.165 1.00 0.00 H new ATOM 0 HG22 ILE A 265 23.680 -6.804 -9.517 1.00 0.00 H new ATOM 0 HG23 ILE A 265 22.852 -8.334 -9.141 1.00 0.00 H new ATOM 0 HD11 ILE A 265 20.461 -7.096 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 265 21.871 -6.011 -5.226 1.00 0.00 H new ATOM 0 HD13 ILE A 265 20.769 -5.958 -6.623 1.00 0.00 H new ATOM 53 N SER A 266 26.892 -7.125 -7.208 1.00 0.00 N ATOM 54 CA SER A 266 28.057 -6.385 -7.677 1.00 0.00 C ATOM 55 C SER A 266 27.823 -4.880 -7.571 1.00 0.00 C ATOM 56 O SER A 266 28.069 -4.279 -6.525 1.00 0.00 O ATOM 57 CB SER A 266 28.384 -6.766 -9.122 1.00 0.00 C ATOM 58 OG SER A 266 28.946 -8.064 -9.193 1.00 0.00 O ATOM 0 H SER A 266 27.102 -7.852 -6.524 1.00 0.00 H new ATOM 0 HA SER A 266 28.904 -6.647 -7.043 1.00 0.00 H new ATOM 0 HB2 SER A 266 27.478 -6.725 -9.726 1.00 0.00 H new ATOM 0 HB3 SER A 266 29.081 -6.041 -9.544 1.00 0.00 H new ATOM 0 HG SER A 266 29.144 -8.284 -10.127 1.00 0.00 H new ATOM 64 N GLN A 267 27.346 -4.278 -8.657 1.00 0.00 N ATOM 65 CA GLN A 267 27.079 -2.843 -8.680 1.00 0.00 C ATOM 66 C GLN A 267 28.116 -2.086 -7.858 1.00 0.00 C ATOM 67 O GLN A 267 27.770 -1.330 -6.949 1.00 0.00 O ATOM 68 CB GLN A 267 25.676 -2.557 -8.144 1.00 0.00 C ATOM 69 CG GLN A 267 25.339 -1.075 -8.086 1.00 0.00 C ATOM 70 CD GLN A 267 23.845 -0.815 -8.124 1.00 0.00 C ATOM 71 OE1 GLN A 267 23.072 -1.468 -7.423 1.00 0.00 O ATOM 72 NE2 GLN A 267 23.432 0.141 -8.948 1.00 0.00 N ATOM 0 H GLN A 267 27.137 -4.760 -9.531 1.00 0.00 H new ATOM 0 HA GLN A 267 27.141 -2.501 -9.713 1.00 0.00 H new ATOM 0 HB2 GLN A 267 24.945 -3.063 -8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 267 25.584 -2.982 -7.144 1.00 0.00 H new ATOM 0 HG2 GLN A 267 25.756 -0.647 -7.174 1.00 0.00 H new ATOM 0 HG3 GLN A 267 25.814 -0.565 -8.924 1.00 0.00 H new ATOM 0 HE21 GLN A 267 24.109 0.657 -9.510 1.00 0.00 H new ATOM 0 HE22 GLN A 267 22.438 0.359 -9.018 1.00 0.00 H new ATOM 81 N GLN A 268 29.388 -2.296 -8.179 1.00 0.00 N ATOM 82 CA GLN A 268 30.474 -1.635 -7.466 1.00 0.00 C ATOM 83 C GLN A 268 31.131 -0.568 -8.337 1.00 0.00 C ATOM 84 O GLN A 268 31.915 -0.879 -9.234 1.00 0.00 O ATOM 85 CB GLN A 268 31.520 -2.658 -7.023 1.00 0.00 C ATOM 86 CG GLN A 268 32.284 -2.246 -5.776 1.00 0.00 C ATOM 87 CD GLN A 268 31.685 -2.823 -4.508 1.00 0.00 C ATOM 88 OE1 GLN A 268 30.495 -3.133 -4.456 1.00 0.00 O ATOM 89 NE2 GLN A 268 32.509 -2.969 -3.478 1.00 0.00 N ATOM 0 H GLN A 268 29.692 -2.918 -8.928 1.00 0.00 H new ATOM 0 HA GLN A 268 30.051 -1.151 -6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 268 31.027 -3.612 -6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 268 32.228 -2.817 -7.837 1.00 0.00 H new ATOM 0 HG2 GLN A 268 33.320 -2.572 -5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 268 32.297 -1.158 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 268 33.489 -2.699 -3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 268 32.163 -3.352 -2.598 1.00 0.00 H new ATOM 98 N GLU A 269 30.810 0.691 -8.062 1.00 0.00 N ATOM 99 CA GLU A 269 31.371 1.805 -8.816 1.00 0.00 C ATOM 100 C GLU A 269 32.290 2.643 -7.932 1.00 0.00 C ATOM 101 O GLU A 269 33.513 2.528 -8.005 1.00 0.00 O ATOM 102 CB GLU A 269 30.252 2.680 -9.384 1.00 0.00 C ATOM 103 CG GLU A 269 29.696 2.174 -10.704 1.00 0.00 C ATOM 104 CD GLU A 269 28.180 2.159 -10.733 1.00 0.00 C ATOM 105 OE1 GLU A 269 27.585 1.258 -10.106 1.00 0.00 O ATOM 106 OE2 GLU A 269 27.590 3.047 -11.383 1.00 0.00 O ATOM 0 H GLU A 269 30.164 0.966 -7.322 1.00 0.00 H new ATOM 0 HA GLU A 269 31.956 1.399 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 269 29.442 2.738 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 269 30.629 3.693 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 269 30.065 2.803 -11.514 1.00 0.00 H new ATOM 0 HG3 GLU A 269 30.069 1.166 -10.888 1.00 0.00 H new ATOM 113 N PHE A 270 31.688 3.481 -7.097 1.00 0.00 N ATOM 114 CA PHE A 270 32.445 4.337 -6.191 1.00 0.00 C ATOM 115 C PHE A 270 31.667 4.567 -4.901 1.00 0.00 C ATOM 116 O PHE A 270 31.496 5.704 -4.460 1.00 0.00 O ATOM 117 CB PHE A 270 32.765 5.679 -6.855 1.00 0.00 C ATOM 118 CG PHE A 270 32.264 5.794 -8.268 1.00 0.00 C ATOM 119 CD1 PHE A 270 33.047 5.373 -9.331 1.00 0.00 C ATOM 120 CD2 PHE A 270 31.010 6.323 -8.531 1.00 0.00 C ATOM 121 CE1 PHE A 270 32.589 5.479 -10.631 1.00 0.00 C ATOM 122 CE2 PHE A 270 30.547 6.431 -9.828 1.00 0.00 C ATOM 123 CZ PHE A 270 31.338 6.009 -10.880 1.00 0.00 C ATOM 0 H PHE A 270 30.676 3.586 -7.028 1.00 0.00 H new ATOM 0 HA PHE A 270 33.382 3.834 -5.953 1.00 0.00 H new ATOM 0 HB2 PHE A 270 32.330 6.481 -6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 270 33.845 5.828 -6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 270 34.026 4.958 -9.142 1.00 0.00 H new ATOM 0 HD2 PHE A 270 30.388 6.654 -7.713 1.00 0.00 H new ATOM 0 HE1 PHE A 270 33.209 5.148 -11.451 1.00 0.00 H new ATOM 0 HE2 PHE A 270 29.568 6.845 -10.020 1.00 0.00 H new ATOM 0 HZ PHE A 270 30.979 6.094 -11.895 1.00 0.00 H new ATOM 133 N GLY A 271 31.191 3.479 -4.305 1.00 0.00 N ATOM 134 CA GLY A 271 30.429 3.577 -3.075 1.00 0.00 C ATOM 135 C GLY A 271 28.956 3.292 -3.290 1.00 0.00 C ATOM 136 O GLY A 271 28.098 4.049 -2.835 1.00 0.00 O ATOM 0 H GLY A 271 31.320 2.529 -4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 271 30.830 2.875 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 271 30.547 4.576 -2.655 1.00 0.00 H new ATOM 140 N ARG A 272 28.663 2.199 -3.985 1.00 0.00 N ATOM 141 CA ARG A 272 27.287 1.816 -4.262 1.00 0.00 C ATOM 142 C ARG A 272 26.473 3.016 -4.732 1.00 0.00 C ATOM 143 O ARG A 272 25.614 3.520 -4.009 1.00 0.00 O ATOM 144 CB ARG A 272 26.649 1.201 -3.017 1.00 0.00 C ATOM 145 CG ARG A 272 27.445 0.043 -2.435 1.00 0.00 C ATOM 146 CD ARG A 272 27.625 0.190 -0.932 1.00 0.00 C ATOM 147 NE ARG A 272 28.335 -0.947 -0.353 1.00 0.00 N ATOM 148 CZ ARG A 272 29.641 -1.150 -0.497 1.00 0.00 C ATOM 149 NH1 ARG A 272 30.374 -0.288 -1.187 1.00 0.00 N ATOM 150 NH2 ARG A 272 30.214 -2.212 0.051 1.00 0.00 N ATOM 0 H ARG A 272 29.363 1.562 -4.367 1.00 0.00 H new ATOM 0 HA ARG A 272 27.294 1.074 -5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 272 26.538 1.974 -2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 272 25.647 0.853 -3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 272 26.935 -0.896 -2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 272 28.422 -0.007 -2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 272 28.175 1.107 -0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 272 26.649 0.288 -0.458 1.00 0.00 H new ATOM 0 HE ARG A 272 27.799 -1.623 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 272 29.936 0.532 -1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 272 31.376 -0.444 -1.297 1.00 0.00 H new ATOM 0 HH21 ARG A 272 29.653 -2.876 0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 272 31.216 -2.366 -0.061 1.00 0.00 H new ATOM 164 N THR A 273 26.753 3.471 -5.950 1.00 0.00 N ATOM 165 CA THR A 273 26.053 4.615 -6.521 1.00 0.00 C ATOM 166 C THR A 273 26.327 5.877 -5.712 1.00 0.00 C ATOM 167 O THR A 273 25.500 6.786 -5.661 1.00 0.00 O ATOM 168 CB THR A 273 24.548 4.347 -6.576 1.00 0.00 C ATOM 169 OG1 THR A 273 24.250 3.054 -6.080 1.00 0.00 O ATOM 170 CG2 THR A 273 23.972 4.446 -7.973 1.00 0.00 C ATOM 0 H THR A 273 27.461 3.063 -6.561 1.00 0.00 H new ATOM 0 HA THR A 273 26.423 4.766 -7.535 1.00 0.00 H new ATOM 0 HB THR A 273 24.095 5.122 -5.958 1.00 0.00 H new ATOM 0 HG1 THR A 273 24.411 3.029 -5.114 1.00 0.00 H new ATOM 0 HG21 THR A 273 22.901 4.245 -7.940 1.00 0.00 H new ATOM 0 HG22 THR A 273 24.141 5.449 -8.366 1.00 0.00 H new ATOM 0 HG23 THR A 273 24.459 3.716 -8.620 1.00 0.00 H new ATOM 178 N GLY A 274 27.493 5.923 -5.075 1.00 0.00 N ATOM 179 CA GLY A 274 27.852 7.078 -4.272 1.00 0.00 C ATOM 180 C GLY A 274 26.924 7.266 -3.090 1.00 0.00 C ATOM 181 O GLY A 274 26.956 8.300 -2.421 1.00 0.00 O ATOM 0 H GLY A 274 28.194 5.183 -5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 274 28.875 6.965 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 274 27.829 7.972 -4.895 1.00 0.00 H new ATOM 185 N LEU A 275 26.094 6.260 -2.833 1.00 0.00 N ATOM 186 CA LEU A 275 25.148 6.310 -1.724 1.00 0.00 C ATOM 187 C LEU A 275 25.127 4.979 -0.980 1.00 0.00 C ATOM 188 O LEU A 275 24.420 4.049 -1.367 1.00 0.00 O ATOM 189 CB LEU A 275 23.745 6.648 -2.235 1.00 0.00 C ATOM 190 CG LEU A 275 23.452 8.141 -2.379 1.00 0.00 C ATOM 191 CD1 LEU A 275 23.996 8.910 -1.185 1.00 0.00 C ATOM 192 CD2 LEU A 275 24.045 8.677 -3.674 1.00 0.00 C ATOM 0 H LEU A 275 26.057 5.399 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 275 25.468 7.091 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 275 23.603 6.170 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 275 23.013 6.213 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 275 22.371 8.278 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 275 23.778 9.971 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 275 23.526 8.544 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 275 25.075 8.766 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 275 23.827 9.741 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 275 25.125 8.527 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 275 23.609 8.147 -4.521 1.00 0.00 H new ATOM 204 N PRO A 276 25.913 4.875 0.100 1.00 0.00 N ATOM 205 CA PRO A 276 25.998 3.662 0.904 1.00 0.00 C ATOM 206 C PRO A 276 24.913 3.595 1.972 1.00 0.00 C ATOM 207 O PRO A 276 24.156 4.546 2.165 1.00 0.00 O ATOM 208 CB PRO A 276 27.378 3.781 1.541 1.00 0.00 C ATOM 209 CG PRO A 276 27.610 5.250 1.687 1.00 0.00 C ATOM 210 CD PRO A 276 26.786 5.938 0.622 1.00 0.00 C ATOM 0 HA PRO A 276 25.857 2.758 0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 276 27.412 3.278 2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 276 28.143 3.321 0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 276 27.317 5.589 2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 276 28.667 5.487 1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 276 26.206 6.762 1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 276 27.417 6.356 -0.162 1.00 0.00 H new ATOM 218 N ASP A 277 24.846 2.463 2.662 1.00 0.00 N ATOM 219 CA ASP A 277 23.854 2.263 3.711 1.00 0.00 C ATOM 220 C ASP A 277 24.510 1.724 4.979 1.00 0.00 C ATOM 221 O ASP A 277 24.159 0.649 5.461 1.00 0.00 O ATOM 222 CB ASP A 277 22.774 1.295 3.234 1.00 0.00 C ATOM 223 CG ASP A 277 21.774 1.953 2.304 1.00 0.00 C ATOM 224 OD1 ASP A 277 20.852 2.629 2.806 1.00 0.00 O ATOM 225 OD2 ASP A 277 21.912 1.790 1.074 1.00 0.00 O ATOM 0 H ASP A 277 25.468 1.668 2.514 1.00 0.00 H new ATOM 0 HA ASP A 277 23.397 3.226 3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 277 23.244 0.455 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 277 22.249 0.888 4.098 1.00 0.00 H new ATOM 230 N LEU A 278 25.464 2.478 5.509 1.00 0.00 N ATOM 231 CA LEU A 278 26.177 2.080 6.720 1.00 0.00 C ATOM 232 C LEU A 278 25.222 1.889 7.895 1.00 0.00 C ATOM 233 O LEU A 278 25.596 1.331 8.927 1.00 0.00 O ATOM 234 CB LEU A 278 27.230 3.129 7.078 1.00 0.00 C ATOM 235 CG LEU A 278 28.144 2.754 8.244 1.00 0.00 C ATOM 236 CD1 LEU A 278 29.372 2.018 7.737 1.00 0.00 C ATOM 237 CD2 LEU A 278 28.547 3.996 9.025 1.00 0.00 C ATOM 0 H LEU A 278 25.764 3.372 5.119 1.00 0.00 H new ATOM 0 HA LEU A 278 26.664 1.126 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 278 27.846 3.318 6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 278 26.723 4.063 7.319 1.00 0.00 H new ATOM 0 HG LEU A 278 27.598 2.091 8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 278 30.013 1.757 8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 278 29.064 1.109 7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 278 29.921 2.659 7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 278 29.198 3.711 9.852 1.00 0.00 H new ATOM 0 HD22 LEU A 278 29.077 4.684 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 278 27.655 4.484 9.417 1.00 0.00 H new ATOM 249 N SER A 279 23.991 2.361 7.738 1.00 0.00 N ATOM 250 CA SER A 279 22.987 2.250 8.790 1.00 0.00 C ATOM 251 C SER A 279 22.658 0.792 9.107 1.00 0.00 C ATOM 252 O SER A 279 22.223 0.476 10.214 1.00 0.00 O ATOM 253 CB SER A 279 21.712 2.993 8.384 1.00 0.00 C ATOM 254 OG SER A 279 20.848 3.170 9.494 1.00 0.00 O ATOM 0 H SER A 279 23.663 2.825 6.891 1.00 0.00 H new ATOM 0 HA SER A 279 23.403 2.704 9.690 1.00 0.00 H new ATOM 0 HB2 SER A 279 21.972 3.964 7.963 1.00 0.00 H new ATOM 0 HB3 SER A 279 21.196 2.435 7.603 1.00 0.00 H new ATOM 0 HG SER A 279 20.042 3.648 9.208 1.00 0.00 H new ATOM 260 N SER A 280 22.853 -0.093 8.132 1.00 0.00 N ATOM 261 CA SER A 280 22.558 -1.509 8.327 1.00 0.00 C ATOM 262 C SER A 280 23.749 -2.397 7.968 1.00 0.00 C ATOM 263 O SER A 280 23.744 -3.594 8.252 1.00 0.00 O ATOM 264 CB SER A 280 21.341 -1.913 7.492 1.00 0.00 C ATOM 265 OG SER A 280 21.229 -3.322 7.399 1.00 0.00 O ATOM 0 H SER A 280 23.211 0.143 7.207 1.00 0.00 H new ATOM 0 HA SER A 280 22.343 -1.654 9.386 1.00 0.00 H new ATOM 0 HB2 SER A 280 20.436 -1.502 7.940 1.00 0.00 H new ATOM 0 HB3 SER A 280 21.424 -1.485 6.493 1.00 0.00 H new ATOM 0 HG SER A 280 21.985 -3.741 7.861 1.00 0.00 H new ATOM 271 N MET A 281 24.768 -1.811 7.344 1.00 0.00 N ATOM 272 CA MET A 281 25.957 -2.566 6.956 1.00 0.00 C ATOM 273 C MET A 281 27.065 -2.355 7.972 1.00 0.00 C ATOM 274 O MET A 281 27.907 -3.225 8.183 1.00 0.00 O ATOM 275 CB MET A 281 26.439 -2.136 5.571 1.00 0.00 C ATOM 276 CG MET A 281 26.232 -3.191 4.500 1.00 0.00 C ATOM 277 SD MET A 281 24.667 -2.994 3.629 1.00 0.00 S ATOM 278 CE MET A 281 23.638 -2.355 4.946 1.00 0.00 C ATOM 0 H MET A 281 24.795 -0.822 7.097 1.00 0.00 H new ATOM 0 HA MET A 281 25.696 -3.624 6.924 1.00 0.00 H new ATOM 0 HB2 MET A 281 25.914 -1.226 5.279 1.00 0.00 H new ATOM 0 HB3 MET A 281 27.499 -1.889 5.625 1.00 0.00 H new ATOM 0 HG2 MET A 281 27.052 -3.142 3.783 1.00 0.00 H new ATOM 0 HG3 MET A 281 26.267 -4.180 4.957 1.00 0.00 H new ATOM 0 HE1 MET A 281 22.646 -2.129 4.555 1.00 0.00 H new ATOM 0 HE2 MET A 281 23.555 -3.100 5.737 1.00 0.00 H new ATOM 0 HE3 MET A 281 24.085 -1.446 5.349 1.00 0.00 H new ATOM 288 N THR A 282 27.038 -1.182 8.590 1.00 0.00 N ATOM 289 CA THR A 282 28.017 -0.793 9.605 1.00 0.00 C ATOM 290 C THR A 282 29.301 -1.623 9.528 1.00 0.00 C ATOM 291 O THR A 282 30.207 -1.297 8.774 1.00 0.00 O ATOM 292 CB THR A 282 27.400 -0.910 11.000 1.00 0.00 C ATOM 293 OG1 THR A 282 28.408 -1.089 11.980 1.00 0.00 O ATOM 294 CG2 THR A 282 26.424 -2.058 11.131 1.00 0.00 C ATOM 0 H THR A 282 26.334 -0.468 8.403 1.00 0.00 H new ATOM 0 HA THR A 282 28.291 0.244 9.408 1.00 0.00 H new ATOM 0 HB THR A 282 26.859 0.023 11.154 1.00 0.00 H new ATOM 0 HG1 THR A 282 27.994 -1.160 12.866 1.00 0.00 H new ATOM 0 HG21 THR A 282 26.025 -2.082 12.145 1.00 0.00 H new ATOM 0 HG22 THR A 282 25.607 -1.924 10.422 1.00 0.00 H new ATOM 0 HG23 THR A 282 26.936 -2.997 10.920 1.00 0.00 H new ATOM 302 N GLU A 283 29.371 -2.684 10.326 1.00 0.00 N ATOM 303 CA GLU A 283 30.547 -3.551 10.370 1.00 0.00 C ATOM 304 C GLU A 283 31.060 -3.906 8.978 1.00 0.00 C ATOM 305 O GLU A 283 32.218 -3.652 8.657 1.00 0.00 O ATOM 306 CB GLU A 283 30.226 -4.834 11.139 1.00 0.00 C ATOM 307 CG GLU A 283 31.368 -5.317 12.018 1.00 0.00 C ATOM 308 CD GLU A 283 30.945 -5.537 13.456 1.00 0.00 C ATOM 309 OE1 GLU A 283 29.773 -5.907 13.679 1.00 0.00 O ATOM 310 OE2 GLU A 283 31.784 -5.338 14.360 1.00 0.00 O ATOM 0 H GLU A 283 28.621 -2.967 10.957 1.00 0.00 H new ATOM 0 HA GLU A 283 31.334 -2.996 10.881 1.00 0.00 H new ATOM 0 HB2 GLU A 283 29.346 -4.665 11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 283 29.968 -5.619 10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 283 31.764 -6.248 11.613 1.00 0.00 H new ATOM 0 HG3 GLU A 283 32.177 -4.587 11.989 1.00 0.00 H new ATOM 317 N GLU A 284 30.208 -4.524 8.169 1.00 0.00 N ATOM 318 CA GLU A 284 30.593 -4.943 6.824 1.00 0.00 C ATOM 319 C GLU A 284 30.877 -3.756 5.903 1.00 0.00 C ATOM 320 O GLU A 284 31.617 -3.885 4.928 1.00 0.00 O ATOM 321 CB GLU A 284 29.504 -5.826 6.214 1.00 0.00 C ATOM 322 CG GLU A 284 28.182 -5.107 6.010 1.00 0.00 C ATOM 323 CD GLU A 284 27.113 -5.565 6.982 1.00 0.00 C ATOM 324 OE1 GLU A 284 27.443 -5.782 8.168 1.00 0.00 O ATOM 325 OE2 GLU A 284 25.947 -5.706 6.559 1.00 0.00 O ATOM 0 H GLU A 284 29.245 -4.747 8.420 1.00 0.00 H new ATOM 0 HA GLU A 284 31.518 -5.512 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 284 29.852 -6.207 5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 284 29.343 -6.689 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 284 28.335 -4.034 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 284 27.836 -5.274 4.990 1.00 0.00 H new ATOM 332 N GLU A 285 30.279 -2.609 6.201 1.00 0.00 N ATOM 333 CA GLU A 285 30.466 -1.416 5.378 1.00 0.00 C ATOM 334 C GLU A 285 31.825 -0.755 5.625 1.00 0.00 C ATOM 335 O GLU A 285 32.409 -0.162 4.719 1.00 0.00 O ATOM 336 CB GLU A 285 29.345 -0.410 5.644 1.00 0.00 C ATOM 337 CG GLU A 285 28.454 -0.158 4.438 1.00 0.00 C ATOM 338 CD GLU A 285 29.043 0.855 3.477 1.00 0.00 C ATOM 339 OE1 GLU A 285 29.860 0.456 2.621 1.00 0.00 O ATOM 340 OE2 GLU A 285 28.687 2.046 3.581 1.00 0.00 O ATOM 0 H GLU A 285 29.662 -2.478 7.003 1.00 0.00 H new ATOM 0 HA GLU A 285 30.435 -1.733 4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 285 28.732 -0.772 6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 285 29.784 0.535 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 285 28.288 -1.098 3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 285 27.480 0.194 4.778 1.00 0.00 H new ATOM 347 N GLN A 286 32.320 -0.856 6.855 1.00 0.00 N ATOM 348 CA GLN A 286 33.605 -0.261 7.218 1.00 0.00 C ATOM 349 C GLN A 286 34.735 -1.256 6.993 1.00 0.00 C ATOM 350 O GLN A 286 35.869 -0.876 6.697 1.00 0.00 O ATOM 351 CB GLN A 286 33.581 0.197 8.679 1.00 0.00 C ATOM 352 CG GLN A 286 32.181 0.260 9.269 1.00 0.00 C ATOM 353 CD GLN A 286 31.969 1.448 10.183 1.00 0.00 C ATOM 354 OE1 GLN A 286 32.922 2.013 10.721 1.00 0.00 O ATOM 355 NE2 GLN A 286 30.709 1.830 10.363 1.00 0.00 N ATOM 0 H GLN A 286 31.852 -1.344 7.618 1.00 0.00 H new ATOM 0 HA GLN A 286 33.779 0.607 6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 286 34.188 -0.484 9.275 1.00 0.00 H new ATOM 0 HB3 GLN A 286 34.042 1.182 8.751 1.00 0.00 H new ATOM 0 HG2 GLN A 286 31.454 0.300 8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 286 31.987 -0.657 9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 286 29.953 1.330 9.895 1.00 0.00 H new ATOM 0 HE22 GLN A 286 30.498 2.623 10.969 1.00 0.00 H new ATOM 364 N ILE A 287 34.406 -2.536 7.100 1.00 0.00 N ATOM 365 CA ILE A 287 35.376 -3.590 6.877 1.00 0.00 C ATOM 366 C ILE A 287 35.562 -3.747 5.390 1.00 0.00 C ATOM 367 O ILE A 287 36.663 -3.985 4.896 1.00 0.00 O ATOM 368 CB ILE A 287 34.925 -4.924 7.486 1.00 0.00 C ATOM 369 CG1 ILE A 287 33.711 -5.469 6.750 1.00 0.00 C ATOM 370 CG2 ILE A 287 34.625 -4.756 8.966 1.00 0.00 C ATOM 371 CD1 ILE A 287 34.053 -6.332 5.554 1.00 0.00 C ATOM 0 H ILE A 287 33.471 -2.866 7.341 1.00 0.00 H new ATOM 0 HA ILE A 287 36.312 -3.315 7.363 1.00 0.00 H new ATOM 0 HB ILE A 287 35.737 -5.643 7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 287 33.109 -6.053 7.446 1.00 0.00 H new ATOM 0 HG13 ILE A 287 33.095 -4.634 6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 287 34.306 -5.711 9.383 1.00 0.00 H new ATOM 0 HG22 ILE A 287 35.522 -4.415 9.483 1.00 0.00 H new ATOM 0 HG23 ILE A 287 33.831 -4.021 9.095 1.00 0.00 H new ATOM 0 HD11 ILE A 287 33.134 -6.682 5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 287 34.629 -5.748 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 287 34.643 -7.189 5.880 1.00 0.00 H new ATOM 383 N ALA A 288 34.462 -3.550 4.681 1.00 0.00 N ATOM 384 CA ALA A 288 34.469 -3.600 3.244 1.00 0.00 C ATOM 385 C ALA A 288 35.251 -2.397 2.760 1.00 0.00 C ATOM 386 O ALA A 288 36.156 -2.499 1.939 1.00 0.00 O ATOM 387 CB ALA A 288 33.047 -3.583 2.703 1.00 0.00 C ATOM 0 H ALA A 288 33.549 -3.353 5.091 1.00 0.00 H new ATOM 0 HA ALA A 288 34.932 -4.520 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 288 33.072 -3.621 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 288 32.502 -4.447 3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 288 32.547 -2.669 3.023 1.00 0.00 H new ATOM 393 N TYR A 289 34.936 -1.248 3.328 1.00 0.00 N ATOM 394 CA TYR A 289 35.654 -0.040 2.979 1.00 0.00 C ATOM 395 C TYR A 289 37.146 -0.298 3.124 1.00 0.00 C ATOM 396 O TYR A 289 37.961 0.200 2.346 1.00 0.00 O ATOM 397 CB TYR A 289 35.233 1.109 3.882 1.00 0.00 C ATOM 398 CG TYR A 289 33.900 1.722 3.518 1.00 0.00 C ATOM 399 CD1 TYR A 289 33.199 1.299 2.395 1.00 0.00 C ATOM 400 CD2 TYR A 289 33.343 2.726 4.299 1.00 0.00 C ATOM 401 CE1 TYR A 289 31.981 1.859 2.062 1.00 0.00 C ATOM 402 CE2 TYR A 289 32.127 3.291 3.973 1.00 0.00 C ATOM 403 CZ TYR A 289 31.450 2.856 2.853 1.00 0.00 C ATOM 404 OH TYR A 289 30.239 3.418 2.524 1.00 0.00 O ATOM 0 H TYR A 289 34.199 -1.127 4.023 1.00 0.00 H new ATOM 0 HA TYR A 289 35.424 0.235 1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 289 35.188 0.751 4.911 1.00 0.00 H new ATOM 0 HB3 TYR A 289 35.999 1.884 3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 289 33.613 0.520 1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 289 33.870 3.070 5.176 1.00 0.00 H new ATOM 0 HE1 TYR A 289 31.448 1.518 1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 289 31.707 4.070 4.592 1.00 0.00 H new ATOM 0 HH TYR A 289 29.563 3.144 3.178 1.00 0.00 H new ATOM 414 N ALA A 290 37.487 -1.102 4.129 1.00 0.00 N ATOM 415 CA ALA A 290 38.872 -1.457 4.391 1.00 0.00 C ATOM 416 C ALA A 290 39.449 -2.282 3.246 1.00 0.00 C ATOM 417 O ALA A 290 40.543 -1.994 2.759 1.00 0.00 O ATOM 418 CB ALA A 290 38.984 -2.217 5.703 1.00 0.00 C ATOM 0 H ALA A 290 36.817 -1.519 4.775 1.00 0.00 H new ATOM 0 HA ALA A 290 39.450 -0.537 4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 290 40.027 -2.476 5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 290 38.617 -1.593 6.518 1.00 0.00 H new ATOM 0 HB3 ALA A 290 38.388 -3.128 5.648 1.00 0.00 H new ATOM 424 N MET A 291 38.714 -3.306 2.808 1.00 0.00 N ATOM 425 CA MET A 291 39.191 -4.144 1.709 1.00 0.00 C ATOM 426 C MET A 291 39.192 -3.358 0.403 1.00 0.00 C ATOM 427 O MET A 291 39.818 -3.763 -0.576 1.00 0.00 O ATOM 428 CB MET A 291 38.351 -5.421 1.566 1.00 0.00 C ATOM 429 CG MET A 291 36.880 -5.178 1.266 1.00 0.00 C ATOM 430 SD MET A 291 36.590 -4.539 -0.401 1.00 0.00 S ATOM 431 CE MET A 291 35.195 -3.444 -0.124 1.00 0.00 C ATOM 0 H MET A 291 37.805 -3.571 3.188 1.00 0.00 H new ATOM 0 HA MET A 291 40.213 -4.445 1.941 1.00 0.00 H new ATOM 0 HB2 MET A 291 38.775 -6.032 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 291 38.430 -5.998 2.487 1.00 0.00 H new ATOM 0 HG2 MET A 291 36.331 -6.111 1.391 1.00 0.00 H new ATOM 0 HG3 MET A 291 36.479 -4.472 1.994 1.00 0.00 H new ATOM 0 HE1 MET A 291 34.727 -3.202 -1.078 1.00 0.00 H new ATOM 0 HE2 MET A 291 34.468 -3.937 0.522 1.00 0.00 H new ATOM 0 HE3 MET A 291 35.541 -2.527 0.353 1.00 0.00 H new ATOM 441 N GLN A 292 38.499 -2.222 0.403 1.00 0.00 N ATOM 442 CA GLN A 292 38.431 -1.369 -0.777 1.00 0.00 C ATOM 443 C GLN A 292 39.749 -0.631 -0.970 1.00 0.00 C ATOM 444 O GLN A 292 40.351 -0.683 -2.043 1.00 0.00 O ATOM 445 CB GLN A 292 37.284 -0.365 -0.646 1.00 0.00 C ATOM 446 CG GLN A 292 37.336 0.759 -1.667 1.00 0.00 C ATOM 447 CD GLN A 292 35.994 1.014 -2.324 1.00 0.00 C ATOM 448 OE1 GLN A 292 35.410 2.088 -2.173 1.00 0.00 O ATOM 449 NE2 GLN A 292 35.497 0.026 -3.058 1.00 0.00 N ATOM 0 H GLN A 292 37.978 -1.872 1.207 1.00 0.00 H new ATOM 0 HA GLN A 292 38.247 -1.999 -1.648 1.00 0.00 H new ATOM 0 HB2 GLN A 292 36.337 -0.894 -0.749 1.00 0.00 H new ATOM 0 HB3 GLN A 292 37.302 0.065 0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 292 37.677 1.672 -1.179 1.00 0.00 H new ATOM 0 HG3 GLN A 292 38.071 0.514 -2.434 1.00 0.00 H new ATOM 0 HE21 GLN A 292 36.015 -0.847 -3.156 1.00 0.00 H new ATOM 0 HE22 GLN A 292 34.597 0.140 -3.524 1.00 0.00 H new ATOM 458 N MET A 293 40.195 0.049 0.081 1.00 0.00 N ATOM 459 CA MET A 293 41.448 0.791 0.033 1.00 0.00 C ATOM 460 C MET A 293 42.631 -0.165 -0.069 1.00 0.00 C ATOM 461 O MET A 293 43.687 0.190 -0.592 1.00 0.00 O ATOM 462 CB MET A 293 41.595 1.668 1.276 1.00 0.00 C ATOM 463 CG MET A 293 42.155 0.928 2.480 1.00 0.00 C ATOM 464 SD MET A 293 42.287 1.978 3.941 1.00 0.00 S ATOM 465 CE MET A 293 43.074 3.428 3.244 1.00 0.00 C ATOM 0 H MET A 293 39.707 0.101 0.975 1.00 0.00 H new ATOM 0 HA MET A 293 41.434 1.429 -0.851 1.00 0.00 H new ATOM 0 HB2 MET A 293 42.247 2.509 1.042 1.00 0.00 H new ATOM 0 HB3 MET A 293 40.621 2.082 1.535 1.00 0.00 H new ATOM 0 HG2 MET A 293 41.516 0.075 2.707 1.00 0.00 H new ATOM 0 HG3 MET A 293 43.140 0.531 2.232 1.00 0.00 H new ATOM 0 HE1 MET A 293 43.585 3.979 4.033 1.00 0.00 H new ATOM 0 HE2 MET A 293 43.797 3.122 2.488 1.00 0.00 H new ATOM 0 HE3 MET A 293 42.319 4.067 2.786 1.00 0.00 H new ATOM 475 N SER A 294 42.443 -1.381 0.435 1.00 0.00 N ATOM 476 CA SER A 294 43.491 -2.393 0.403 1.00 0.00 C ATOM 477 C SER A 294 43.592 -3.032 -0.979 1.00 0.00 C ATOM 478 O SER A 294 44.664 -3.471 -1.394 1.00 0.00 O ATOM 479 CB SER A 294 43.222 -3.469 1.457 1.00 0.00 C ATOM 480 OG SER A 294 44.431 -4.044 1.921 1.00 0.00 O ATOM 0 H SER A 294 41.573 -1.689 0.871 1.00 0.00 H new ATOM 0 HA SER A 294 44.439 -1.904 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 294 42.678 -3.033 2.295 1.00 0.00 H new ATOM 0 HB3 SER A 294 42.586 -4.246 1.033 1.00 0.00 H new ATOM 0 HG SER A 294 44.231 -4.727 2.595 1.00 0.00 H new ATOM 486 N LEU A 295 42.467 -3.081 -1.689 1.00 0.00 N ATOM 487 CA LEU A 295 42.437 -3.667 -3.025 1.00 0.00 C ATOM 488 C LEU A 295 43.007 -2.700 -4.058 1.00 0.00 C ATOM 489 O LEU A 295 43.521 -3.116 -5.097 1.00 0.00 O ATOM 490 CB LEU A 295 41.007 -4.052 -3.409 1.00 0.00 C ATOM 491 CG LEU A 295 40.792 -5.538 -3.702 1.00 0.00 C ATOM 492 CD1 LEU A 295 39.888 -6.166 -2.652 1.00 0.00 C ATOM 493 CD2 LEU A 295 40.206 -5.726 -5.094 1.00 0.00 C ATOM 0 H LEU A 295 41.569 -2.724 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 295 43.056 -4.564 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 295 40.338 -3.756 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 295 40.717 -3.478 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 295 41.759 -6.040 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 295 39.747 -7.223 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 295 40.347 -6.063 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 295 38.921 -5.662 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 295 40.059 -6.789 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 295 39.248 -5.210 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 295 40.890 -5.314 -5.836 1.00 0.00 H new ATOM 505 N GLN A 296 42.913 -1.406 -3.767 1.00 0.00 N ATOM 506 CA GLN A 296 43.419 -0.381 -4.672 1.00 0.00 C ATOM 507 C GLN A 296 44.700 -0.844 -5.357 1.00 0.00 C ATOM 508 O GLN A 296 44.930 -0.550 -6.530 1.00 0.00 O ATOM 509 CB GLN A 296 43.680 0.921 -3.911 1.00 0.00 C ATOM 510 CG GLN A 296 44.502 1.929 -4.696 1.00 0.00 C ATOM 511 CD GLN A 296 44.810 3.179 -3.895 1.00 0.00 C ATOM 512 OE1 GLN A 296 44.016 4.120 -3.861 1.00 0.00 O ATOM 513 NE2 GLN A 296 45.967 3.195 -3.244 1.00 0.00 N ATOM 0 H GLN A 296 42.491 -1.043 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 296 42.661 -0.203 -5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 296 42.725 1.373 -3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 296 44.196 0.690 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 296 45.436 1.464 -5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 296 43.963 2.206 -5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 296 46.595 2.393 -3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 296 46.228 4.009 -2.688 1.00 0.00 H new ATOM 522 N GLY A 297 45.532 -1.571 -4.617 1.00 0.00 N ATOM 523 CA GLY A 297 46.779 -2.063 -5.173 1.00 0.00 C ATOM 524 C GLY A 297 47.804 -2.384 -4.103 1.00 0.00 C ATOM 525 O GLY A 297 48.918 -1.862 -4.126 1.00 0.00 O ATOM 0 H GLY A 297 45.365 -1.828 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 297 46.582 -2.958 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 297 47.190 -1.317 -5.853 1.00 0.00 H new ATOM 529 N ALA A 298 47.428 -3.246 -3.166 1.00 0.00 N ATOM 530 CA ALA A 298 48.324 -3.637 -2.084 1.00 0.00 C ATOM 531 C ALA A 298 48.851 -2.417 -1.336 1.00 0.00 C ATOM 532 O ALA A 298 49.906 -1.879 -1.674 1.00 0.00 O ATOM 533 CB ALA A 298 49.479 -4.463 -2.629 1.00 0.00 C ATOM 0 H ALA A 298 46.509 -3.688 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 298 47.757 -4.244 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 298 50.140 -4.748 -1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 298 49.089 -5.360 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 298 50.036 -3.873 -3.357 1.00 0.00 H new ATOM 539 N GLU A 299 48.113 -1.987 -0.318 1.00 0.00 N ATOM 540 CA GLU A 299 48.510 -0.832 0.479 1.00 0.00 C ATOM 541 C GLU A 299 48.797 -1.240 1.920 1.00 0.00 C ATOM 542 O GLU A 299 49.939 -1.532 2.277 1.00 0.00 O ATOM 543 CB GLU A 299 47.416 0.237 0.446 1.00 0.00 C ATOM 544 CG GLU A 299 47.632 1.361 1.449 1.00 0.00 C ATOM 545 CD GLU A 299 46.577 2.445 1.346 1.00 0.00 C ATOM 546 OE1 GLU A 299 46.005 2.615 0.249 1.00 0.00 O ATOM 547 OE2 GLU A 299 46.323 3.125 2.363 1.00 0.00 O ATOM 0 H GLU A 299 47.237 -2.421 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 299 49.423 -0.420 0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 299 47.364 0.661 -0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 299 46.453 -0.234 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 299 47.627 0.949 2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 299 48.616 1.801 1.290 1.00 0.00 H new ATOM 554 N PHE A 300 47.753 -1.260 2.743 1.00 0.00 N ATOM 555 CA PHE A 300 47.888 -1.634 4.145 1.00 0.00 C ATOM 556 C PHE A 300 49.220 -1.155 4.712 1.00 0.00 C ATOM 557 O PHE A 300 50.061 -1.961 5.112 1.00 0.00 O ATOM 558 CB PHE A 300 47.768 -3.151 4.308 1.00 0.00 C ATOM 559 CG PHE A 300 47.686 -3.594 5.739 1.00 0.00 C ATOM 560 CD1 PHE A 300 46.861 -2.933 6.636 1.00 0.00 C ATOM 561 CD2 PHE A 300 48.434 -4.670 6.190 1.00 0.00 C ATOM 562 CE1 PHE A 300 46.785 -3.337 7.955 1.00 0.00 C ATOM 563 CE2 PHE A 300 48.362 -5.078 7.507 1.00 0.00 C ATOM 564 CZ PHE A 300 47.536 -4.411 8.392 1.00 0.00 C ATOM 0 H PHE A 300 46.802 -1.021 2.461 1.00 0.00 H new ATOM 0 HA PHE A 300 47.083 -1.152 4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 300 46.881 -3.496 3.777 1.00 0.00 H new ATOM 0 HB3 PHE A 300 48.627 -3.628 3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 300 46.271 -2.093 6.300 1.00 0.00 H new ATOM 0 HD2 PHE A 300 49.081 -5.196 5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 300 46.139 -2.813 8.644 1.00 0.00 H new ATOM 0 HE2 PHE A 300 48.951 -5.918 7.845 1.00 0.00 H new ATOM 0 HZ PHE A 300 47.478 -4.729 9.423 1.00 0.00 H new ATOM 574 N GLY A 301 49.406 0.160 4.743 1.00 0.00 N ATOM 575 CA GLY A 301 50.638 0.723 5.262 1.00 0.00 C ATOM 576 C GLY A 301 50.429 2.072 5.922 1.00 0.00 C ATOM 577 O GLY A 301 49.574 2.216 6.796 1.00 0.00 O ATOM 0 H GLY A 301 48.725 0.846 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 301 51.073 0.032 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 301 51.356 0.828 4.449 1.00 0.00 H new ATOM 581 N GLN A 302 51.212 3.060 5.502 1.00 0.00 N ATOM 582 CA GLN A 302 51.111 4.404 6.056 1.00 0.00 C ATOM 583 C GLN A 302 52.112 5.341 5.391 1.00 0.00 C ATOM 584 O GLN A 302 53.300 5.030 5.296 1.00 0.00 O ATOM 585 CB GLN A 302 51.348 4.374 7.568 1.00 0.00 C ATOM 586 CG GLN A 302 50.225 5.007 8.373 1.00 0.00 C ATOM 587 CD GLN A 302 49.897 4.227 9.630 1.00 0.00 C ATOM 588 OE1 GLN A 302 49.259 3.175 9.573 1.00 0.00 O ATOM 589 NE2 GLN A 302 50.331 4.739 10.775 1.00 0.00 N ATOM 0 H GLN A 302 51.924 2.955 4.779 1.00 0.00 H new ATOM 0 HA GLN A 302 50.106 4.777 5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 302 51.474 3.339 7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 302 52.281 4.892 7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 302 50.507 6.024 8.644 1.00 0.00 H new ATOM 0 HG3 GLN A 302 49.333 5.078 7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 302 50.856 5.613 10.776 1.00 0.00 H new ATOM 0 HE22 GLN A 302 50.139 4.258 11.654 1.00 0.00 H new ATOM 598 N ALA A 303 51.627 6.489 4.931 1.00 0.00 N ATOM 599 CA ALA A 303 52.483 7.469 4.274 1.00 0.00 C ATOM 600 C ALA A 303 52.764 7.069 2.828 1.00 0.00 C ATOM 601 O ALA A 303 51.995 6.327 2.218 1.00 0.00 O ATOM 602 CB ALA A 303 53.786 7.626 5.041 1.00 0.00 C ATOM 0 H ALA A 303 50.647 6.763 5.001 1.00 0.00 H new ATOM 0 HA ALA A 303 51.960 8.426 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 303 54.417 8.361 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 303 53.573 7.962 6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 303 54.304 6.668 5.078 1.00 0.00 H new ATOM 608 N GLU A 304 53.873 7.565 2.289 1.00 0.00 N ATOM 609 CA GLU A 304 54.258 7.259 0.917 1.00 0.00 C ATOM 610 C GLU A 304 54.086 5.771 0.624 1.00 0.00 C ATOM 611 O GLU A 304 53.882 5.373 -0.523 1.00 0.00 O ATOM 612 CB GLU A 304 55.710 7.675 0.670 1.00 0.00 C ATOM 613 CG GLU A 304 55.872 8.681 -0.457 1.00 0.00 C ATOM 614 CD GLU A 304 56.167 10.080 0.048 1.00 0.00 C ATOM 615 OE1 GLU A 304 57.052 10.222 0.917 1.00 0.00 O ATOM 616 OE2 GLU A 304 55.514 11.032 -0.426 1.00 0.00 O ATOM 0 H GLU A 304 54.520 8.180 2.782 1.00 0.00 H new ATOM 0 HA GLU A 304 53.607 7.821 0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 304 56.118 8.100 1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 304 56.299 6.787 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 304 56.680 8.358 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 304 54.962 8.699 -1.056 1.00 0.00 H new ATOM 623 N SER A 305 54.169 4.955 1.670 1.00 0.00 N ATOM 624 CA SER A 305 54.023 3.510 1.527 1.00 0.00 C ATOM 625 C SER A 305 55.254 2.901 0.864 1.00 0.00 C ATOM 626 O SER A 305 56.083 3.613 0.300 1.00 0.00 O ATOM 627 CB SER A 305 52.773 3.181 0.709 1.00 0.00 C ATOM 628 OG SER A 305 51.927 4.313 0.590 1.00 0.00 O ATOM 0 H SER A 305 54.337 5.269 2.626 1.00 0.00 H new ATOM 0 HA SER A 305 53.920 3.080 2.523 1.00 0.00 H new ATOM 0 HB2 SER A 305 53.064 2.835 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 305 52.229 2.365 1.184 1.00 0.00 H new ATOM 0 HG SER A 305 52.171 4.821 -0.211 1.00 0.00 H new ATOM 634 N ALA A 306 55.366 1.578 0.938 1.00 0.00 N ATOM 635 CA ALA A 306 56.495 0.873 0.345 1.00 0.00 C ATOM 636 C ALA A 306 56.047 0.003 -0.824 1.00 0.00 C ATOM 637 O ALA A 306 56.620 0.064 -1.912 1.00 0.00 O ATOM 638 CB ALA A 306 57.198 0.027 1.397 1.00 0.00 C ATOM 0 H ALA A 306 54.688 0.974 1.403 1.00 0.00 H new ATOM 0 HA ALA A 306 57.196 1.615 -0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 306 58.040 -0.495 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 306 57.561 0.671 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 306 56.498 -0.702 1.806 1.00 0.00 H new ATOM 644 N ASP A 307 55.019 -0.808 -0.592 1.00 0.00 N ATOM 645 CA ASP A 307 54.494 -1.691 -1.629 1.00 0.00 C ATOM 646 C ASP A 307 53.619 -0.918 -2.611 1.00 0.00 C ATOM 647 O ASP A 307 52.379 -1.049 -2.528 1.00 0.00 O ATOM 648 CB ASP A 307 53.690 -2.830 -1.000 1.00 0.00 C ATOM 649 CG ASP A 307 52.734 -2.341 0.070 1.00 0.00 C ATOM 650 OD1 ASP A 307 51.836 -1.538 -0.260 1.00 0.00 O ATOM 651 OD2 ASP A 307 52.883 -2.760 1.237 1.00 0.00 O ATOM 652 OXT ASP A 307 54.180 -0.186 -3.454 1.00 0.00 O ATOM 0 H ASP A 307 54.534 -0.872 0.303 1.00 0.00 H new ATOM 0 HA ASP A 307 55.339 -2.110 -2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 307 53.127 -3.346 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 307 54.375 -3.558 -0.566 1.00 0.00 H new TER 657 ASP A 307