USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 473 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 Single : A 222 SER OG : rot 180:sc= 0 USER MOD Single : A 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 LYS NZ :NH3+ -123:sc= -0.811 (180deg=-2.49!) USER MOD Single : A 227 ASN : amide:sc= -5.59! C(o=-5.6!,f=-6.7!) USER MOD Single : A 232 SER OG : rot 180:sc= 0 USER MOD Single : A 235 SER OG : rot -140:sc= 0.871 USER MOD Single : A 250 HIS : no HD1:sc= -0.0776 X(o=-0.078,f=-0.23) USER MOD Single : A 252 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 256 HIS : no HD1:sc= -13.8! C(o=-14!,f=-17!) USER MOD Single : A 263 SER OG : rot -37:sc= 0.291 USER MOD Single : A 266 ASN :FLIP amide:sc= -1.61 F(o=-4.1!,f=-1.6) USER MOD Single : A 270 THR OG1 : rot 96:sc= 1.06 USER MOD Single : A 274 TYR OH : rot 180:sc= 0 USER MOD Single : A 275 LYS NZ :NH3+ -168:sc= 0.202 (180deg=0.154) USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 277 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 221 16.362 -7.110 -8.385 1.00 0.00 N ATOM 2 CA GLY A 221 15.015 -7.542 -8.852 1.00 0.00 C ATOM 3 C GLY A 221 14.150 -7.901 -7.651 1.00 0.00 C ATOM 4 O GLY A 221 13.106 -7.290 -7.421 1.00 0.00 O ATOM 0 HA2 GLY A 221 14.545 -6.744 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 221 15.107 -8.401 -9.516 1.00 0.00 H new ATOM 10 N SER A 222 14.589 -8.896 -6.887 1.00 0.00 N ATOM 11 CA SER A 222 13.845 -9.329 -5.711 1.00 0.00 C ATOM 12 C SER A 222 14.322 -8.581 -4.469 1.00 0.00 C ATOM 13 O SER A 222 13.650 -7.672 -3.984 1.00 0.00 O ATOM 14 CB SER A 222 14.025 -10.833 -5.503 1.00 0.00 C ATOM 15 OG SER A 222 13.427 -11.531 -6.586 1.00 0.00 O ATOM 0 H SER A 222 15.450 -9.414 -7.060 1.00 0.00 H new ATOM 0 HA SER A 222 12.790 -9.109 -5.871 1.00 0.00 H new ATOM 0 HB2 SER A 222 15.085 -11.079 -5.438 1.00 0.00 H new ATOM 0 HB3 SER A 222 13.569 -11.139 -4.562 1.00 0.00 H new ATOM 0 HG SER A 222 13.542 -12.496 -6.457 1.00 0.00 H new ATOM 21 N LYS A 223 15.488 -8.969 -3.963 1.00 0.00 N ATOM 22 CA LYS A 223 16.046 -8.328 -2.778 1.00 0.00 C ATOM 23 C LYS A 223 14.976 -8.167 -1.703 1.00 0.00 C ATOM 24 O LYS A 223 14.251 -7.173 -1.678 1.00 0.00 O ATOM 25 CB LYS A 223 16.613 -6.955 -3.145 1.00 0.00 C ATOM 26 CG LYS A 223 17.591 -7.101 -4.312 1.00 0.00 C ATOM 27 CD LYS A 223 18.095 -5.719 -4.732 1.00 0.00 C ATOM 28 CE LYS A 223 17.285 -5.222 -5.932 1.00 0.00 C ATOM 29 NZ LYS A 223 17.424 -3.743 -6.049 1.00 0.00 N1+ ATOM 0 H LYS A 223 16.061 -9.718 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 223 16.845 -8.959 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 223 15.804 -6.277 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 223 17.120 -6.517 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 223 18.430 -7.732 -4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 223 17.100 -7.592 -5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 223 18.002 -5.019 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 223 19.153 -5.769 -4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 223 17.635 -5.704 -6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 223 16.235 -5.491 -5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 223 16.873 -3.406 -6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 223 17.070 -3.291 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 223 18.426 -3.498 -6.183 1.00 0.00 H new ATOM 43 N LYS A 224 14.882 -9.154 -0.817 1.00 0.00 N ATOM 44 CA LYS A 224 13.896 -9.111 0.258 1.00 0.00 C ATOM 45 C LYS A 224 13.890 -7.736 0.920 1.00 0.00 C ATOM 46 O LYS A 224 14.733 -6.890 0.621 1.00 0.00 O ATOM 47 CB LYS A 224 14.214 -10.181 1.306 1.00 0.00 C ATOM 48 CG LYS A 224 14.615 -11.483 0.609 1.00 0.00 C ATOM 49 CD LYS A 224 16.134 -11.649 0.672 1.00 0.00 C ATOM 50 CE LYS A 224 16.546 -12.898 -0.110 1.00 0.00 C ATOM 51 NZ LYS A 224 17.496 -12.513 -1.192 1.00 0.00 N1+ ATOM 0 H LYS A 224 15.471 -9.987 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 224 12.912 -9.304 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 224 15.022 -9.840 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 224 13.345 -10.350 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 224 14.126 -12.330 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 224 14.283 -11.469 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 224 16.624 -10.769 0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 224 16.458 -11.733 1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 224 17.013 -13.622 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 224 15.667 -13.380 -0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 17.777 -13.361 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 17.035 -11.837 -1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 18.339 -12.072 -0.773 1.00 0.00 H new ATOM 65 N LYS A 225 12.935 -7.523 1.823 1.00 0.00 N ATOM 66 CA LYS A 225 12.825 -6.258 2.522 1.00 0.00 C ATOM 67 C LYS A 225 13.325 -6.408 3.954 1.00 0.00 C ATOM 68 O LYS A 225 13.083 -7.426 4.606 1.00 0.00 O ATOM 69 CB LYS A 225 11.363 -5.778 2.490 1.00 0.00 C ATOM 70 CG LYS A 225 10.904 -5.299 3.871 1.00 0.00 C ATOM 71 CD LYS A 225 9.513 -4.667 3.747 1.00 0.00 C ATOM 72 CE LYS A 225 8.498 -5.721 3.290 1.00 0.00 C ATOM 73 NZ LYS A 225 8.430 -5.731 1.802 1.00 0.00 N1+ ATOM 0 H LYS A 225 12.230 -8.213 2.083 1.00 0.00 H new ATOM 0 HA LYS A 225 13.444 -5.510 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 225 11.260 -4.967 1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 225 10.719 -6.590 2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 225 10.876 -6.136 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 225 11.612 -4.574 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 225 9.208 -4.248 4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 225 9.541 -3.843 3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 225 8.788 -6.705 3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 225 7.516 -5.501 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 225 7.451 -5.556 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 225 9.049 -4.987 1.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 225 8.743 -6.657 1.446 1.00 0.00 H new ATOM 87 N ASP A 226 14.021 -5.391 4.431 1.00 0.00 N ATOM 88 CA ASP A 226 14.560 -5.408 5.787 1.00 0.00 C ATOM 89 C ASP A 226 14.626 -3.992 6.349 1.00 0.00 C ATOM 90 O ASP A 226 15.289 -3.741 7.355 1.00 0.00 O ATOM 91 CB ASP A 226 15.961 -6.021 5.783 1.00 0.00 C ATOM 92 CG ASP A 226 16.060 -7.116 6.841 1.00 0.00 C ATOM 93 OD1 ASP A 226 15.587 -8.209 6.579 1.00 0.00 O1- ATOM 94 OD2 ASP A 226 16.620 -6.847 7.890 1.00 0.00 O ATOM 0 H ASP A 226 14.228 -4.543 3.904 1.00 0.00 H new ATOM 0 HA ASP A 226 13.902 -6.009 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 226 16.182 -6.435 4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 226 16.705 -5.248 5.978 1.00 0.00 H new ATOM 99 N ASN A 227 13.939 -3.069 5.685 1.00 0.00 N ATOM 100 CA ASN A 227 13.927 -1.677 6.120 1.00 0.00 C ATOM 101 C ASN A 227 12.560 -1.069 5.914 1.00 0.00 C ATOM 102 O ASN A 227 12.366 0.126 6.133 1.00 0.00 O ATOM 103 CB ASN A 227 14.970 -0.881 5.335 1.00 0.00 C ATOM 104 CG ASN A 227 16.323 -0.942 6.036 1.00 0.00 C ATOM 105 OD1 ASN A 227 16.679 -1.970 6.613 1.00 0.00 O ATOM 106 ND2 ASN A 227 17.105 0.102 6.014 1.00 0.00 N ATOM 0 H ASN A 227 13.386 -3.257 4.849 1.00 0.00 H new ATOM 0 HA ASN A 227 14.168 -1.642 7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 227 15.058 -1.282 4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 227 14.649 0.156 5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 227 18.014 0.068 6.476 1.00 0.00 H new ATOM 0 HD22 ASN A 227 16.807 0.952 5.535 1.00 0.00 H new ATOM 113 N LEU A 228 11.627 -1.918 5.509 1.00 0.00 N ATOM 114 CA LEU A 228 10.249 -1.509 5.272 1.00 0.00 C ATOM 115 C LEU A 228 10.146 -0.021 4.962 1.00 0.00 C ATOM 116 O LEU A 228 10.853 0.500 4.099 1.00 0.00 O ATOM 117 CB LEU A 228 9.382 -1.872 6.485 1.00 0.00 C ATOM 118 CG LEU A 228 9.924 -1.198 7.753 1.00 0.00 C ATOM 119 CD1 LEU A 228 8.755 -0.776 8.647 1.00 0.00 C ATOM 120 CD2 LEU A 228 10.811 -2.187 8.514 1.00 0.00 C ATOM 0 H LEU A 228 11.802 -2.908 5.336 1.00 0.00 H new ATOM 0 HA LEU A 228 9.883 -2.046 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 228 8.353 -1.558 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 228 9.367 -2.954 6.619 1.00 0.00 H new ATOM 0 HG LEU A 228 10.507 -0.320 7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 228 9.140 -0.297 9.547 1.00 0.00 H new ATOM 0 HD12 LEU A 228 8.119 -0.075 8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 228 8.173 -1.655 8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 228 11.197 -1.711 9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 228 10.225 -3.064 8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 228 11.643 -2.492 7.880 1.00 0.00 H new ATOM 132 N LEU A 229 9.255 0.647 5.668 1.00 0.00 N ATOM 133 CA LEU A 229 9.043 2.079 5.478 1.00 0.00 C ATOM 134 C LEU A 229 9.845 2.906 6.476 1.00 0.00 C ATOM 135 O LEU A 229 10.621 3.783 6.104 1.00 0.00 O ATOM 136 CB LEU A 229 7.556 2.407 5.618 1.00 0.00 C ATOM 137 CG LEU A 229 6.846 2.143 4.290 1.00 0.00 C ATOM 138 CD1 LEU A 229 7.124 0.709 3.835 1.00 0.00 C ATOM 139 CD2 LEU A 229 5.337 2.335 4.466 1.00 0.00 C ATOM 0 H LEU A 229 8.662 0.225 6.382 1.00 0.00 H new ATOM 0 HA LEU A 229 9.387 2.335 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 229 7.112 1.800 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 229 7.429 3.450 5.909 1.00 0.00 H new ATOM 0 HG LEU A 229 7.217 2.842 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 229 6.617 0.523 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 229 8.197 0.570 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 229 6.756 0.011 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 229 4.833 2.146 3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 229 4.967 1.639 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 229 5.135 3.357 4.787 1.00 0.00 H new ATOM 151 N PHE A 230 9.617 2.621 7.748 1.00 0.00 N ATOM 152 CA PHE A 230 10.281 3.344 8.830 1.00 0.00 C ATOM 153 C PHE A 230 11.712 2.868 9.000 1.00 0.00 C ATOM 154 O PHE A 230 12.527 3.529 9.645 1.00 0.00 O ATOM 155 CB PHE A 230 9.518 3.138 10.139 1.00 0.00 C ATOM 156 CG PHE A 230 8.158 3.791 10.043 1.00 0.00 C ATOM 157 CD1 PHE A 230 7.171 3.236 9.221 1.00 0.00 C ATOM 158 CD2 PHE A 230 7.888 4.954 10.776 1.00 0.00 C ATOM 159 CE1 PHE A 230 5.911 3.841 9.135 1.00 0.00 C ATOM 160 CE2 PHE A 230 6.629 5.560 10.689 1.00 0.00 C ATOM 161 CZ PHE A 230 5.641 5.002 9.868 1.00 0.00 C ATOM 0 H PHE A 230 8.976 1.892 8.061 1.00 0.00 H new ATOM 0 HA PHE A 230 10.293 4.404 8.574 1.00 0.00 H new ATOM 0 HB2 PHE A 230 9.407 2.073 10.343 1.00 0.00 H new ATOM 0 HB3 PHE A 230 10.080 3.565 10.970 1.00 0.00 H new ATOM 0 HD1 PHE A 230 7.381 2.342 8.653 1.00 0.00 H new ATOM 0 HD2 PHE A 230 8.651 5.383 11.408 1.00 0.00 H new ATOM 0 HE1 PHE A 230 5.148 3.412 8.503 1.00 0.00 H new ATOM 0 HE2 PHE A 230 6.420 6.456 11.254 1.00 0.00 H new ATOM 0 HZ PHE A 230 4.669 5.468 9.801 1.00 0.00 H new ATOM 171 N GLY A 231 12.016 1.721 8.417 1.00 0.00 N ATOM 172 CA GLY A 231 13.355 1.168 8.507 1.00 0.00 C ATOM 173 C GLY A 231 14.192 1.620 7.321 1.00 0.00 C ATOM 174 O GLY A 231 15.363 1.266 7.204 1.00 0.00 O ATOM 0 H GLY A 231 11.357 1.158 7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 231 13.826 1.487 9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 231 13.306 0.079 8.532 1.00 0.00 H new ATOM 178 N SER A 232 13.570 2.398 6.437 1.00 0.00 N ATOM 179 CA SER A 232 14.254 2.889 5.244 1.00 0.00 C ATOM 180 C SER A 232 14.150 4.402 5.127 1.00 0.00 C ATOM 181 O SER A 232 15.129 5.079 4.809 1.00 0.00 O ATOM 182 CB SER A 232 13.641 2.247 4.003 1.00 0.00 C ATOM 183 OG SER A 232 14.675 1.705 3.194 1.00 0.00 O ATOM 0 H SER A 232 12.600 2.700 6.524 1.00 0.00 H new ATOM 0 HA SER A 232 15.308 2.622 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 232 12.942 1.463 4.293 1.00 0.00 H new ATOM 0 HB3 SER A 232 13.073 2.987 3.439 1.00 0.00 H new ATOM 0 HG SER A 232 14.283 1.290 2.397 1.00 0.00 H new ATOM 189 N ILE A 233 12.954 4.922 5.354 1.00 0.00 N ATOM 190 CA ILE A 233 12.723 6.355 5.239 1.00 0.00 C ATOM 191 C ILE A 233 13.135 7.099 6.505 1.00 0.00 C ATOM 192 O ILE A 233 13.974 7.994 6.459 1.00 0.00 O ATOM 193 CB ILE A 233 11.250 6.607 4.949 1.00 0.00 C ATOM 194 CG1 ILE A 233 10.911 6.029 3.576 1.00 0.00 C ATOM 195 CG2 ILE A 233 10.982 8.111 4.953 1.00 0.00 C ATOM 196 CD1 ILE A 233 9.480 5.497 3.592 1.00 0.00 C ATOM 0 H ILE A 233 12.132 4.378 5.617 1.00 0.00 H new ATOM 0 HA ILE A 233 13.337 6.732 4.421 1.00 0.00 H new ATOM 0 HB ILE A 233 10.634 6.131 5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 233 11.017 6.796 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 233 11.606 5.228 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 233 9.928 8.293 4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 233 11.236 8.523 5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 233 11.591 8.591 4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 233 9.235 5.084 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 233 9.390 4.717 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 233 8.792 6.310 3.825 1.00 0.00 H new ATOM 208 N ILE A 234 12.535 6.735 7.629 1.00 0.00 N ATOM 209 CA ILE A 234 12.846 7.387 8.897 1.00 0.00 C ATOM 210 C ILE A 234 14.220 6.966 9.395 1.00 0.00 C ATOM 211 O ILE A 234 14.825 7.634 10.232 1.00 0.00 O ATOM 212 CB ILE A 234 11.803 6.989 9.938 1.00 0.00 C ATOM 213 CG1 ILE A 234 10.394 7.350 9.440 1.00 0.00 C ATOM 214 CG2 ILE A 234 12.097 7.700 11.261 1.00 0.00 C ATOM 215 CD1 ILE A 234 10.291 8.850 9.120 1.00 0.00 C ATOM 0 H ILE A 234 11.834 5.997 7.691 1.00 0.00 H new ATOM 0 HA ILE A 234 12.838 8.466 8.743 1.00 0.00 H new ATOM 0 HB ILE A 234 11.849 5.912 10.097 1.00 0.00 H new ATOM 0 HG12 ILE A 234 10.159 6.767 8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 234 9.657 7.085 10.198 1.00 0.00 H new ATOM 0 HG21 ILE A 234 11.350 7.414 12.002 1.00 0.00 H new ATOM 0 HG22 ILE A 234 13.088 7.415 11.615 1.00 0.00 H new ATOM 0 HG23 ILE A 234 12.063 8.779 11.110 1.00 0.00 H new ATOM 0 HD11 ILE A 234 9.285 9.079 8.770 1.00 0.00 H new ATOM 0 HD12 ILE A 234 10.503 9.429 10.019 1.00 0.00 H new ATOM 0 HD13 ILE A 234 11.012 9.107 8.344 1.00 0.00 H new ATOM 227 N SER A 235 14.695 5.842 8.883 1.00 0.00 N ATOM 228 CA SER A 235 15.993 5.317 9.290 1.00 0.00 C ATOM 229 C SER A 235 17.101 5.827 8.383 1.00 0.00 C ATOM 230 O SER A 235 18.284 5.673 8.688 1.00 0.00 O ATOM 231 CB SER A 235 15.959 3.793 9.260 1.00 0.00 C ATOM 232 OG SER A 235 16.941 3.317 8.347 1.00 0.00 O ATOM 0 H SER A 235 14.206 5.277 8.189 1.00 0.00 H new ATOM 0 HA SER A 235 16.201 5.661 10.303 1.00 0.00 H new ATOM 0 HB2 SER A 235 16.149 3.394 10.256 1.00 0.00 H new ATOM 0 HB3 SER A 235 14.970 3.446 8.961 1.00 0.00 H new ATOM 0 HG SER A 235 16.579 2.558 7.843 1.00 0.00 H new ATOM 238 N ALA A 236 16.708 6.425 7.268 1.00 0.00 N ATOM 239 CA ALA A 236 17.680 6.951 6.314 1.00 0.00 C ATOM 240 C ALA A 236 17.334 8.386 5.942 1.00 0.00 C ATOM 241 O ALA A 236 18.079 9.036 5.207 1.00 0.00 O ATOM 242 CB ALA A 236 17.695 6.087 5.053 1.00 0.00 C ATOM 0 H ALA A 236 15.733 6.559 7.001 1.00 0.00 H new ATOM 0 HA ALA A 236 18.666 6.932 6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 236 18.423 6.487 4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 236 17.968 5.065 5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 236 16.705 6.093 4.596 1.00 0.00 H new ATOM 248 N VAL A 237 16.203 8.864 6.461 1.00 0.00 N ATOM 249 CA VAL A 237 15.740 10.225 6.195 1.00 0.00 C ATOM 250 C VAL A 237 16.175 10.685 4.817 1.00 0.00 C ATOM 251 O VAL A 237 17.280 11.193 4.631 1.00 0.00 O ATOM 252 CB VAL A 237 16.254 11.167 7.277 1.00 0.00 C ATOM 253 CG1 VAL A 237 17.688 10.791 7.652 1.00 0.00 C ATOM 254 CG2 VAL A 237 16.209 12.620 6.791 1.00 0.00 C ATOM 0 H VAL A 237 15.588 8.325 7.071 1.00 0.00 H new ATOM 0 HA VAL A 237 14.650 10.236 6.214 1.00 0.00 H new ATOM 0 HB VAL A 237 15.613 11.073 8.154 1.00 0.00 H new ATOM 0 HG11 VAL A 237 18.051 11.467 8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 237 17.710 9.767 8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 237 18.327 10.870 6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 237 16.580 13.278 7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 237 16.833 12.726 5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 237 15.182 12.890 6.546 1.00 0.00 H new ATOM 264 N ASP A 238 15.283 10.491 3.860 1.00 0.00 N ATOM 265 CA ASP A 238 15.548 10.871 2.480 1.00 0.00 C ATOM 266 C ASP A 238 17.008 10.597 2.128 1.00 0.00 C ATOM 267 O ASP A 238 17.849 11.482 2.251 1.00 0.00 O ATOM 268 CB ASP A 238 15.245 12.357 2.292 1.00 0.00 C ATOM 269 CG ASP A 238 13.745 12.560 2.113 1.00 0.00 C ATOM 270 OD1 ASP A 238 13.057 12.656 3.116 1.00 0.00 O ATOM 271 OD2 ASP A 238 13.303 12.600 0.976 1.00 0.00 O1- ATOM 0 H ASP A 238 14.366 10.071 4.013 1.00 0.00 H new ATOM 0 HA ASP A 238 14.910 10.282 1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 238 15.597 12.921 3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 238 15.779 12.739 1.422 1.00 0.00 H new ATOM 276 N PRO A 239 17.336 9.400 1.709 1.00 0.00 N ATOM 277 CA PRO A 239 18.738 9.051 1.354 1.00 0.00 C ATOM 278 C PRO A 239 19.379 10.136 0.508 1.00 0.00 C ATOM 279 O PRO A 239 20.569 10.402 0.629 1.00 0.00 O ATOM 280 CB PRO A 239 18.598 7.745 0.580 1.00 0.00 C ATOM 281 CG PRO A 239 17.369 7.108 1.133 1.00 0.00 C ATOM 282 CD PRO A 239 16.430 8.252 1.523 1.00 0.00 C ATOM 0 HA PRO A 239 19.384 8.953 2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 239 18.502 7.927 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 239 19.471 7.107 0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 239 16.902 6.457 0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 239 17.608 6.489 1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 239 15.692 8.447 0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 239 15.879 8.025 2.436 1.00 0.00 H new ATOM 290 N VAL A 240 18.573 10.774 -0.331 1.00 0.00 N ATOM 291 CA VAL A 240 19.074 11.850 -1.177 1.00 0.00 C ATOM 292 C VAL A 240 19.510 13.015 -0.304 1.00 0.00 C ATOM 293 O VAL A 240 20.442 13.748 -0.638 1.00 0.00 O ATOM 294 CB VAL A 240 17.982 12.308 -2.139 1.00 0.00 C ATOM 295 CG1 VAL A 240 18.626 12.925 -3.385 1.00 0.00 C ATOM 296 CG2 VAL A 240 17.126 11.106 -2.549 1.00 0.00 C ATOM 0 H VAL A 240 17.580 10.568 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 240 19.925 11.488 -1.754 1.00 0.00 H new ATOM 0 HB VAL A 240 17.353 13.051 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 240 17.847 13.253 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 240 19.236 13.780 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 240 19.254 12.182 -3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 240 16.346 11.433 -3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 240 17.754 10.363 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 240 16.668 10.666 -1.663 1.00 0.00 H new ATOM 306 N ALA A 241 18.833 13.164 0.826 1.00 0.00 N ATOM 307 CA ALA A 241 19.149 14.221 1.772 1.00 0.00 C ATOM 308 C ALA A 241 20.424 13.865 2.512 1.00 0.00 C ATOM 309 O ALA A 241 21.139 14.736 3.003 1.00 0.00 O ATOM 310 CB ALA A 241 18.008 14.384 2.773 1.00 0.00 C ATOM 0 H ALA A 241 18.059 12.563 1.109 1.00 0.00 H new ATOM 0 HA ALA A 241 19.285 15.158 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 241 18.253 15.178 3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 241 17.092 14.641 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 241 17.863 13.449 3.315 1.00 0.00 H new ATOM 316 N VAL A 242 20.700 12.568 2.578 1.00 0.00 N ATOM 317 CA VAL A 242 21.897 12.081 3.246 1.00 0.00 C ATOM 318 C VAL A 242 23.039 11.977 2.246 1.00 0.00 C ATOM 319 O VAL A 242 24.204 12.166 2.590 1.00 0.00 O ATOM 320 CB VAL A 242 21.629 10.706 3.856 1.00 0.00 C ATOM 321 CG1 VAL A 242 22.837 10.267 4.686 1.00 0.00 C ATOM 322 CG2 VAL A 242 20.391 10.779 4.752 1.00 0.00 C ATOM 0 H VAL A 242 20.112 11.837 2.178 1.00 0.00 H new ATOM 0 HA VAL A 242 22.170 12.780 4.037 1.00 0.00 H new ATOM 0 HB VAL A 242 21.459 9.983 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 242 22.643 9.286 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 242 23.718 10.213 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 242 23.012 10.989 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 242 20.199 9.799 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 242 20.561 11.503 5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 242 19.530 11.087 4.159 1.00 0.00 H new ATOM 332 N LEU A 243 22.684 11.676 1.001 1.00 0.00 N ATOM 333 CA LEU A 243 23.674 11.545 -0.057 1.00 0.00 C ATOM 334 C LEU A 243 24.012 12.910 -0.626 1.00 0.00 C ATOM 335 O LEU A 243 25.169 13.202 -0.927 1.00 0.00 O ATOM 336 CB LEU A 243 23.139 10.652 -1.179 1.00 0.00 C ATOM 337 CG LEU A 243 23.685 9.225 -1.026 1.00 0.00 C ATOM 338 CD1 LEU A 243 25.191 9.201 -1.320 1.00 0.00 C ATOM 339 CD2 LEU A 243 23.441 8.728 0.405 1.00 0.00 C ATOM 0 H LEU A 243 21.721 11.519 0.703 1.00 0.00 H new ATOM 0 HA LEU A 243 24.571 11.093 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 243 22.049 10.637 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 243 23.430 11.059 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 243 23.170 8.575 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 243 25.567 8.184 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 243 25.368 9.544 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 243 25.709 9.858 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 243 23.830 7.715 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 243 23.949 9.386 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 243 22.371 8.729 0.613 1.00 0.00 H new ATOM 351 N ALA A 244 22.993 13.749 -0.766 1.00 0.00 N ATOM 352 CA ALA A 244 23.207 15.083 -1.295 1.00 0.00 C ATOM 353 C ALA A 244 24.377 15.731 -0.580 1.00 0.00 C ATOM 354 O ALA A 244 24.987 16.676 -1.076 1.00 0.00 O ATOM 355 CB ALA A 244 21.945 15.924 -1.107 1.00 0.00 C ATOM 0 H ALA A 244 22.026 13.531 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 244 23.431 15.018 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 244 22.112 16.925 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 244 21.114 15.456 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 244 21.708 15.992 -0.045 1.00 0.00 H new ATOM 361 N VAL A 245 24.688 15.196 0.592 1.00 0.00 N ATOM 362 CA VAL A 245 25.794 15.701 1.385 1.00 0.00 C ATOM 363 C VAL A 245 27.075 14.957 1.039 1.00 0.00 C ATOM 364 O VAL A 245 28.099 15.576 0.758 1.00 0.00 O ATOM 365 CB VAL A 245 25.483 15.529 2.873 1.00 0.00 C ATOM 366 CG1 VAL A 245 26.374 16.463 3.694 1.00 0.00 C ATOM 367 CG2 VAL A 245 24.012 15.875 3.123 1.00 0.00 C ATOM 0 H VAL A 245 24.189 14.412 1.013 1.00 0.00 H new ATOM 0 HA VAL A 245 25.931 16.759 1.163 1.00 0.00 H new ATOM 0 HB VAL A 245 25.673 14.497 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 245 26.151 16.340 4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 245 27.421 16.220 3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 245 26.185 17.496 3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 245 23.785 15.754 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 245 23.826 16.908 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 245 23.377 15.210 2.538 1.00 0.00 H new ATOM 377 N PHE A 246 27.008 13.627 1.053 1.00 0.00 N ATOM 378 CA PHE A 246 28.178 12.815 0.734 1.00 0.00 C ATOM 379 C PHE A 246 28.661 13.112 -0.674 1.00 0.00 C ATOM 380 O PHE A 246 29.841 12.954 -0.982 1.00 0.00 O ATOM 381 CB PHE A 246 27.853 11.323 0.867 1.00 0.00 C ATOM 382 CG PHE A 246 27.792 10.931 2.329 1.00 0.00 C ATOM 383 CD1 PHE A 246 28.933 11.022 3.137 1.00 0.00 C ATOM 384 CD2 PHE A 246 26.586 10.466 2.872 1.00 0.00 C ATOM 385 CE1 PHE A 246 28.869 10.650 4.485 1.00 0.00 C ATOM 386 CE2 PHE A 246 26.523 10.094 4.220 1.00 0.00 C ATOM 387 CZ PHE A 246 27.664 10.186 5.027 1.00 0.00 C ATOM 0 H PHE A 246 26.167 13.095 1.279 1.00 0.00 H new ATOM 0 HA PHE A 246 28.968 13.067 1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 246 26.900 11.106 0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 246 28.612 10.731 0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 246 29.863 11.379 2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 246 25.706 10.395 2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 246 29.749 10.721 5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 246 25.594 9.736 4.638 1.00 0.00 H new ATOM 0 HZ PHE A 246 27.615 9.899 6.067 1.00 0.00 H new ATOM 397 N GLU A 247 27.747 13.555 -1.522 1.00 0.00 N ATOM 398 CA GLU A 247 28.102 13.888 -2.889 1.00 0.00 C ATOM 399 C GLU A 247 29.113 15.028 -2.893 1.00 0.00 C ATOM 400 O GLU A 247 29.580 15.458 -3.947 1.00 0.00 O ATOM 401 CB GLU A 247 26.853 14.304 -3.664 1.00 0.00 C ATOM 402 CG GLU A 247 26.594 13.306 -4.796 1.00 0.00 C ATOM 403 CD GLU A 247 27.726 13.363 -5.816 1.00 0.00 C ATOM 404 OE1 GLU A 247 28.548 14.257 -5.709 1.00 0.00 O ATOM 405 OE2 GLU A 247 27.757 12.509 -6.687 1.00 0.00 O1- ATOM 0 H GLU A 247 26.763 13.691 -1.290 1.00 0.00 H new ATOM 0 HA GLU A 247 28.543 13.013 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 247 25.993 14.341 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 247 26.983 15.306 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 247 26.511 12.298 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 247 25.645 13.534 -5.282 1.00 0.00 H new ATOM 412 N GLU A 248 29.444 15.517 -1.697 1.00 0.00 N ATOM 413 CA GLU A 248 30.395 16.613 -1.570 1.00 0.00 C ATOM 414 C GLU A 248 31.357 16.375 -0.406 1.00 0.00 C ATOM 415 O GLU A 248 32.157 15.440 -0.429 1.00 0.00 O ATOM 416 CB GLU A 248 29.648 17.930 -1.355 1.00 0.00 C ATOM 417 CG GLU A 248 28.659 18.148 -2.503 1.00 0.00 C ATOM 418 CD GLU A 248 28.457 19.641 -2.744 1.00 0.00 C ATOM 419 OE1 GLU A 248 28.120 20.333 -1.799 1.00 0.00 O ATOM 420 OE2 GLU A 248 28.641 20.067 -3.871 1.00 0.00 O1- ATOM 0 H GLU A 248 29.070 15.173 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 248 30.974 16.666 -2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 248 29.118 17.909 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 248 30.355 18.758 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 248 29.032 17.672 -3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 248 27.705 17.678 -2.266 1.00 0.00 H new ATOM 427 N ILE A 249 31.282 17.239 0.603 1.00 0.00 N ATOM 428 CA ILE A 249 32.159 17.131 1.768 1.00 0.00 C ATOM 429 C ILE A 249 33.594 16.868 1.327 1.00 0.00 C ATOM 430 O ILE A 249 33.910 16.922 0.137 1.00 0.00 O ATOM 431 CB ILE A 249 31.699 16.003 2.700 1.00 0.00 C ATOM 432 CG1 ILE A 249 30.239 15.639 2.394 1.00 0.00 C ATOM 433 CG2 ILE A 249 31.820 16.469 4.154 1.00 0.00 C ATOM 434 CD1 ILE A 249 29.630 14.850 3.563 1.00 0.00 C ATOM 0 H ILE A 249 30.626 18.019 0.639 1.00 0.00 H new ATOM 0 HA ILE A 249 32.112 18.076 2.310 1.00 0.00 H new ATOM 0 HB ILE A 249 32.325 15.124 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 249 29.660 16.546 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 249 30.189 15.046 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 249 31.494 15.670 4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 249 32.858 16.721 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 249 31.194 17.348 4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 249 28.595 14.599 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 249 30.200 13.934 3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 249 29.663 15.457 4.468 1.00 0.00 H new ATOM 446 N HIS A 250 34.462 16.584 2.291 1.00 0.00 N ATOM 447 CA HIS A 250 35.864 16.315 1.991 1.00 0.00 C ATOM 448 C HIS A 250 36.500 15.492 3.104 1.00 0.00 C ATOM 449 O HIS A 250 37.716 15.303 3.131 1.00 0.00 O ATOM 450 CB HIS A 250 36.624 17.632 1.831 1.00 0.00 C ATOM 451 CG HIS A 250 37.433 17.594 0.564 1.00 0.00 C ATOM 452 ND1 HIS A 250 38.211 16.500 0.215 1.00 0.00 N ATOM 453 CD2 HIS A 250 37.597 18.507 -0.449 1.00 0.00 C ATOM 454 CE1 HIS A 250 38.800 16.781 -0.960 1.00 0.00 C ATOM 455 NE2 HIS A 250 38.461 17.991 -1.410 1.00 0.00 N ATOM 0 H HIS A 250 34.222 16.534 3.281 1.00 0.00 H new ATOM 0 HA HIS A 250 35.916 15.749 1.061 1.00 0.00 H new ATOM 0 HB2 HIS A 250 35.924 18.467 1.803 1.00 0.00 H new ATOM 0 HB3 HIS A 250 37.278 17.793 2.688 1.00 0.00 H new ATOM 0 HD2 HIS A 250 37.127 19.478 -0.493 1.00 0.00 H new ATOM 0 HE1 HIS A 250 39.468 16.108 -1.478 1.00 0.00 H new ATOM 0 HE2 HIS A 250 38.769 18.440 -2.272 1.00 0.00 H new ATOM 463 N ILE A 251 35.667 15.007 4.021 1.00 0.00 N ATOM 464 CA ILE A 251 36.150 14.202 5.140 1.00 0.00 C ATOM 465 C ILE A 251 35.558 12.804 5.084 1.00 0.00 C ATOM 466 O ILE A 251 36.278 11.807 5.121 1.00 0.00 O ATOM 467 CB ILE A 251 35.759 14.860 6.462 1.00 0.00 C ATOM 468 CG1 ILE A 251 36.270 16.299 6.482 1.00 0.00 C ATOM 469 CG2 ILE A 251 36.383 14.082 7.624 1.00 0.00 C ATOM 470 CD1 ILE A 251 35.101 17.245 6.756 1.00 0.00 C ATOM 0 H ILE A 251 34.658 15.156 4.012 1.00 0.00 H new ATOM 0 HA ILE A 251 37.236 14.133 5.071 1.00 0.00 H new ATOM 0 HB ILE A 251 34.674 14.856 6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 251 37.035 16.415 7.250 1.00 0.00 H new ATOM 0 HG13 ILE A 251 36.736 16.545 5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 251 36.104 14.551 8.567 1.00 0.00 H new ATOM 0 HG22 ILE A 251 36.021 13.054 7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 251 37.468 14.086 7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 251 35.461 18.274 6.771 1.00 0.00 H new ATOM 0 HD12 ILE A 251 34.352 17.134 5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 251 34.655 17.002 7.721 1.00 0.00 H new ATOM 482 N ASN A 252 34.236 12.745 4.996 1.00 0.00 N ATOM 483 CA ASN A 252 33.541 11.469 4.937 1.00 0.00 C ATOM 484 C ASN A 252 33.105 11.167 3.509 1.00 0.00 C ATOM 485 O ASN A 252 32.015 10.649 3.283 1.00 0.00 O ATOM 486 CB ASN A 252 32.314 11.514 5.849 1.00 0.00 C ATOM 487 CG ASN A 252 32.693 12.082 7.212 1.00 0.00 C ATOM 488 OD1 ASN A 252 31.991 12.946 7.741 1.00 0.00 O ATOM 489 ND2 ASN A 252 33.763 11.646 7.820 1.00 0.00 N ATOM 0 H ASN A 252 33.627 13.563 4.964 1.00 0.00 H new ATOM 0 HA ASN A 252 34.218 10.683 5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 252 31.536 12.128 5.395 1.00 0.00 H new ATOM 0 HB3 ASN A 252 31.902 10.512 5.966 1.00 0.00 H new ATOM 0 HD21 ASN A 252 34.019 12.020 8.734 1.00 0.00 H new ATOM 0 HD22 ASN A 252 34.343 10.931 7.381 1.00 0.00 H new ATOM 496 N GLU A 253 33.962 11.500 2.548 1.00 0.00 N ATOM 497 CA GLU A 253 33.652 11.262 1.140 1.00 0.00 C ATOM 498 C GLU A 253 34.452 10.078 0.604 1.00 0.00 C ATOM 499 O GLU A 253 34.185 9.583 -0.492 1.00 0.00 O ATOM 500 CB GLU A 253 33.982 12.511 0.318 1.00 0.00 C ATOM 501 CG GLU A 253 33.175 12.496 -0.983 1.00 0.00 C ATOM 502 CD GLU A 253 33.854 13.371 -2.030 1.00 0.00 C ATOM 503 OE1 GLU A 253 34.785 12.897 -2.662 1.00 0.00 O ATOM 504 OE2 GLU A 253 33.433 14.506 -2.186 1.00 0.00 O1- ATOM 0 H GLU A 253 34.870 11.932 2.716 1.00 0.00 H new ATOM 0 HA GLU A 253 32.589 11.036 1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 253 33.750 13.408 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 253 35.049 12.542 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 253 33.086 11.475 -1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 253 32.163 12.857 -0.797 1.00 0.00 H new ATOM 511 N LEU A 254 35.439 9.637 1.378 1.00 0.00 N ATOM 512 CA LEU A 254 36.281 8.517 0.973 1.00 0.00 C ATOM 513 C LEU A 254 36.057 7.302 1.868 1.00 0.00 C ATOM 514 O LEU A 254 35.812 6.198 1.382 1.00 0.00 O ATOM 515 CB LEU A 254 37.758 8.926 1.030 1.00 0.00 C ATOM 516 CG LEU A 254 37.913 10.215 1.846 1.00 0.00 C ATOM 517 CD1 LEU A 254 39.389 10.425 2.187 1.00 0.00 C ATOM 518 CD2 LEU A 254 37.406 11.412 1.033 1.00 0.00 C ATOM 0 H LEU A 254 35.675 10.037 2.286 1.00 0.00 H new ATOM 0 HA LEU A 254 36.010 8.247 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 254 38.348 8.128 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 254 38.142 9.076 0.021 1.00 0.00 H new ATOM 0 HG LEU A 254 37.330 10.130 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 254 39.502 11.341 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 254 39.752 9.579 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 254 39.967 10.505 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 254 37.519 12.324 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 254 37.984 11.498 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 254 36.354 11.266 0.788 1.00 0.00 H new ATOM 530 N LEU A 255 36.164 7.508 3.177 1.00 0.00 N ATOM 531 CA LEU A 255 35.992 6.415 4.129 1.00 0.00 C ATOM 532 C LEU A 255 34.546 5.933 4.179 1.00 0.00 C ATOM 533 O LEU A 255 34.286 4.732 4.113 1.00 0.00 O ATOM 534 CB LEU A 255 36.442 6.854 5.525 1.00 0.00 C ATOM 535 CG LEU A 255 35.682 8.112 5.964 1.00 0.00 C ATOM 536 CD1 LEU A 255 34.564 7.735 6.940 1.00 0.00 C ATOM 537 CD2 LEU A 255 36.652 9.072 6.656 1.00 0.00 C ATOM 0 H LEU A 255 36.367 8.413 3.601 1.00 0.00 H new ATOM 0 HA LEU A 255 36.611 5.584 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 255 36.268 6.049 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 255 37.514 7.052 5.522 1.00 0.00 H new ATOM 0 HG LEU A 255 35.246 8.591 5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 255 34.030 8.634 7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 255 33.871 7.050 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 255 34.994 7.252 7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 255 36.116 9.968 6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 255 37.086 8.584 7.529 1.00 0.00 H new ATOM 0 HD23 LEU A 255 37.446 9.349 5.963 1.00 0.00 H new ATOM 549 N HIS A 256 33.606 6.865 4.292 1.00 0.00 N ATOM 550 CA HIS A 256 32.198 6.497 4.344 1.00 0.00 C ATOM 551 C HIS A 256 31.894 5.484 3.253 1.00 0.00 C ATOM 552 O HIS A 256 31.091 4.568 3.437 1.00 0.00 O ATOM 553 CB HIS A 256 31.332 7.735 4.133 1.00 0.00 C ATOM 554 CG HIS A 256 31.458 8.170 2.703 1.00 0.00 C ATOM 555 ND1 HIS A 256 30.358 8.468 1.916 1.00 0.00 N ATOM 556 CD2 HIS A 256 32.554 8.337 1.892 1.00 0.00 C ATOM 557 CE1 HIS A 256 30.810 8.798 0.692 1.00 0.00 C ATOM 558 NE2 HIS A 256 32.141 8.734 0.623 1.00 0.00 N ATOM 0 H HIS A 256 33.790 7.867 4.349 1.00 0.00 H new ATOM 0 HA HIS A 256 31.980 6.062 5.320 1.00 0.00 H new ATOM 0 HB2 HIS A 256 30.292 7.514 4.371 1.00 0.00 H new ATOM 0 HB3 HIS A 256 31.648 8.536 4.801 1.00 0.00 H new ATOM 0 HD2 HIS A 256 33.580 8.184 2.193 1.00 0.00 H new ATOM 0 HE1 HIS A 256 30.173 9.080 -0.133 1.00 0.00 H new ATOM 0 HE2 HIS A 256 32.730 8.933 -0.186 1.00 0.00 H new ATOM 566 N ILE A 257 32.550 5.661 2.114 1.00 0.00 N ATOM 567 CA ILE A 257 32.366 4.774 0.978 1.00 0.00 C ATOM 568 C ILE A 257 32.334 3.318 1.438 1.00 0.00 C ATOM 569 O ILE A 257 31.694 2.471 0.814 1.00 0.00 O ATOM 570 CB ILE A 257 33.500 5.006 -0.026 1.00 0.00 C ATOM 571 CG1 ILE A 257 32.971 4.807 -1.447 1.00 0.00 C ATOM 572 CG2 ILE A 257 34.651 4.039 0.241 1.00 0.00 C ATOM 573 CD1 ILE A 257 34.141 4.761 -2.431 1.00 0.00 C ATOM 0 H ILE A 257 33.217 6.416 1.954 1.00 0.00 H new ATOM 0 HA ILE A 257 31.413 4.990 0.496 1.00 0.00 H new ATOM 0 HB ILE A 257 33.870 6.025 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 257 32.397 3.882 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 257 32.294 5.619 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 257 35.449 4.216 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 257 35.032 4.197 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 257 34.295 3.013 0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 257 33.760 4.619 -3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 257 34.696 5.698 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 257 34.802 3.933 -2.172 1.00 0.00 H new ATOM 585 N LEU A 258 33.026 3.039 2.538 1.00 0.00 N ATOM 586 CA LEU A 258 33.078 1.694 3.088 1.00 0.00 C ATOM 587 C LEU A 258 31.946 1.482 4.082 1.00 0.00 C ATOM 588 O LEU A 258 31.151 0.550 3.946 1.00 0.00 O ATOM 589 CB LEU A 258 34.416 1.501 3.802 1.00 0.00 C ATOM 590 CG LEU A 258 35.210 0.356 3.167 1.00 0.00 C ATOM 591 CD1 LEU A 258 34.417 -0.950 3.282 1.00 0.00 C ATOM 592 CD2 LEU A 258 35.484 0.663 1.694 1.00 0.00 C ATOM 0 H LEU A 258 33.559 3.730 3.066 1.00 0.00 H new ATOM 0 HA LEU A 258 32.974 0.973 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 258 34.996 2.423 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 258 34.243 1.289 4.857 1.00 0.00 H new ATOM 0 HG LEU A 258 36.160 0.249 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 258 34.986 -1.762 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 258 34.237 -1.175 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 258 33.463 -0.843 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 258 36.049 -0.157 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 258 34.538 0.780 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 258 36.060 1.585 1.616 1.00 0.00 H new ATOM 604 N VAL A 259 31.883 2.347 5.086 1.00 0.00 N ATOM 605 CA VAL A 259 30.849 2.243 6.105 1.00 0.00 C ATOM 606 C VAL A 259 29.466 2.219 5.475 1.00 0.00 C ATOM 607 O VAL A 259 28.664 1.331 5.759 1.00 0.00 O ATOM 608 CB VAL A 259 30.951 3.418 7.079 1.00 0.00 C ATOM 609 CG1 VAL A 259 29.758 3.389 8.037 1.00 0.00 C ATOM 610 CG2 VAL A 259 32.251 3.305 7.878 1.00 0.00 C ATOM 0 H VAL A 259 32.532 3.123 5.216 1.00 0.00 H new ATOM 0 HA VAL A 259 31.000 1.309 6.647 1.00 0.00 H new ATOM 0 HB VAL A 259 30.947 4.355 6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 259 29.829 4.226 8.732 1.00 0.00 H new ATOM 0 HG12 VAL A 259 28.832 3.468 7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 259 29.762 2.453 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 259 32.325 4.142 8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 259 32.255 2.369 8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 259 33.100 3.324 7.195 1.00 0.00 H new ATOM 620 N PHE A 260 29.186 3.197 4.621 1.00 0.00 N ATOM 621 CA PHE A 260 27.884 3.264 3.968 1.00 0.00 C ATOM 622 C PHE A 260 27.451 1.876 3.501 1.00 0.00 C ATOM 623 O PHE A 260 26.400 1.375 3.901 1.00 0.00 O ATOM 624 CB PHE A 260 27.937 4.202 2.764 1.00 0.00 C ATOM 625 CG PHE A 260 27.216 3.546 1.613 1.00 0.00 C ATOM 626 CD1 PHE A 260 25.821 3.438 1.638 1.00 0.00 C ATOM 627 CD2 PHE A 260 27.940 3.031 0.532 1.00 0.00 C ATOM 628 CE1 PHE A 260 25.148 2.818 0.578 1.00 0.00 C ATOM 629 CE2 PHE A 260 27.268 2.411 -0.528 1.00 0.00 C ATOM 630 CZ PHE A 260 25.873 2.305 -0.506 1.00 0.00 C ATOM 0 H PHE A 260 29.832 3.944 4.367 1.00 0.00 H new ATOM 0 HA PHE A 260 27.163 3.645 4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 260 27.472 5.157 3.007 1.00 0.00 H new ATOM 0 HB3 PHE A 260 28.972 4.412 2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 260 25.264 3.833 2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 260 29.017 3.112 0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 260 24.071 2.735 0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 260 27.826 2.014 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 260 25.355 1.828 -1.325 1.00 0.00 H new ATOM 640 N GLY A 261 28.268 1.265 2.651 1.00 0.00 N ATOM 641 CA GLY A 261 27.964 -0.061 2.129 1.00 0.00 C ATOM 642 C GLY A 261 27.512 -1.001 3.244 1.00 0.00 C ATOM 643 O GLY A 261 26.583 -1.786 3.066 1.00 0.00 O ATOM 0 H GLY A 261 29.142 1.665 2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 261 27.183 0.013 1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 261 28.846 -0.472 1.637 1.00 0.00 H new ATOM 647 N GLU A 262 28.180 -0.920 4.389 1.00 0.00 N ATOM 648 CA GLU A 262 27.842 -1.771 5.521 1.00 0.00 C ATOM 649 C GLU A 262 26.819 -1.095 6.427 1.00 0.00 C ATOM 650 O GLU A 262 26.228 -1.741 7.288 1.00 0.00 O ATOM 651 CB GLU A 262 29.103 -2.095 6.330 1.00 0.00 C ATOM 652 CG GLU A 262 30.067 -2.939 5.486 1.00 0.00 C ATOM 653 CD GLU A 262 31.315 -2.132 5.138 1.00 0.00 C ATOM 654 OE1 GLU A 262 31.826 -1.456 6.014 1.00 0.00 O ATOM 655 OE2 GLU A 262 31.743 -2.211 3.998 1.00 0.00 O1- ATOM 0 H GLU A 262 28.954 -0.277 4.557 1.00 0.00 H new ATOM 0 HA GLU A 262 27.409 -2.693 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 262 29.592 -1.172 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 262 28.834 -2.635 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 262 30.349 -3.838 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 262 29.570 -3.265 4.572 1.00 0.00 H new ATOM 662 N SER A 263 26.602 0.200 6.230 1.00 0.00 N ATOM 663 CA SER A 263 25.636 0.919 7.048 1.00 0.00 C ATOM 664 C SER A 263 24.234 0.398 6.772 1.00 0.00 C ATOM 665 O SER A 263 23.325 0.563 7.588 1.00 0.00 O ATOM 666 CB SER A 263 25.691 2.417 6.749 1.00 0.00 C ATOM 667 OG SER A 263 25.161 2.658 5.455 1.00 0.00 O ATOM 0 H SER A 263 27.073 0.765 5.523 1.00 0.00 H new ATOM 0 HA SER A 263 25.884 0.759 8.097 1.00 0.00 H new ATOM 0 HB2 SER A 263 25.121 2.970 7.496 1.00 0.00 H new ATOM 0 HB3 SER A 263 26.720 2.773 6.805 1.00 0.00 H new ATOM 0 HG SER A 263 25.423 1.930 4.854 1.00 0.00 H new ATOM 673 N LEU A 264 24.067 -0.237 5.619 1.00 0.00 N ATOM 674 CA LEU A 264 22.776 -0.786 5.241 1.00 0.00 C ATOM 675 C LEU A 264 22.662 -2.236 5.702 1.00 0.00 C ATOM 676 O LEU A 264 21.562 -2.742 5.917 1.00 0.00 O ATOM 677 CB LEU A 264 22.589 -0.700 3.724 1.00 0.00 C ATOM 678 CG LEU A 264 23.539 -1.674 3.024 1.00 0.00 C ATOM 679 CD1 LEU A 264 22.767 -2.917 2.577 1.00 0.00 C ATOM 680 CD2 LEU A 264 24.150 -0.991 1.797 1.00 0.00 C ATOM 0 H LEU A 264 24.808 -0.383 4.933 1.00 0.00 H new ATOM 0 HA LEU A 264 21.994 -0.202 5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 264 21.557 -0.934 3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 264 22.781 0.317 3.383 1.00 0.00 H new ATOM 0 HG LEU A 264 24.329 -1.968 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 264 23.447 -3.608 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 264 22.327 -3.405 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 264 21.976 -2.625 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 264 24.828 -1.682 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 264 23.356 -0.699 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 264 24.702 -0.105 2.111 1.00 0.00 H new ATOM 692 N LEU A 265 23.805 -2.901 5.855 1.00 0.00 N ATOM 693 CA LEU A 265 23.807 -4.291 6.294 1.00 0.00 C ATOM 694 C LEU A 265 23.891 -4.368 7.816 1.00 0.00 C ATOM 695 O LEU A 265 23.247 -5.216 8.435 1.00 0.00 O ATOM 696 CB LEU A 265 24.953 -5.062 5.617 1.00 0.00 C ATOM 697 CG LEU A 265 26.239 -5.045 6.470 1.00 0.00 C ATOM 698 CD1 LEU A 265 26.145 -6.048 7.632 1.00 0.00 C ATOM 699 CD2 LEU A 265 27.444 -5.439 5.603 1.00 0.00 C ATOM 0 H LEU A 265 24.729 -2.505 5.684 1.00 0.00 H new ATOM 0 HA LEU A 265 22.871 -4.762 5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 265 24.645 -6.093 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 265 25.159 -4.623 4.641 1.00 0.00 H new ATOM 0 HG LEU A 265 26.359 -4.037 6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 265 27.065 -6.015 8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 265 25.300 -5.788 8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 265 26.004 -7.053 7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 265 28.349 -5.425 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 265 27.291 -6.441 5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 265 27.548 -4.731 4.781 1.00 0.00 H new ATOM 711 N ASN A 266 24.665 -3.472 8.417 1.00 0.00 N ATOM 712 CA ASN A 266 24.791 -3.451 9.870 1.00 0.00 C ATOM 713 C ASN A 266 23.511 -2.902 10.478 1.00 0.00 C ATOM 714 O ASN A 266 23.154 -3.231 11.609 1.00 0.00 O ATOM 715 CB ASN A 266 25.979 -2.581 10.294 1.00 0.00 C ATOM 716 CG ASN A 266 25.484 -1.206 10.728 1.00 0.00 C ATOM 717 OD1 ASN A 266 24.823 -0.463 9.884 1.00 0.00 O flip ATOM 718 ND2 ASN A 266 25.700 -0.801 11.870 1.00 0.00 N flip ATOM 0 H ASN A 266 25.208 -2.760 7.929 1.00 0.00 H new ATOM 0 HA ASN A 266 24.961 -4.467 10.225 1.00 0.00 H new ATOM 0 HB2 ASN A 266 26.517 -3.059 11.113 1.00 0.00 H new ATOM 0 HB3 ASN A 266 26.681 -2.480 9.466 1.00 0.00 H new ATOM 0 HD21 ASN A 266 26.217 -1.384 12.528 1.00 0.00 H new ATOM 0 HD22 ASN A 266 25.362 0.117 12.158 1.00 0.00 H new ATOM 725 N ASP A 267 22.820 -2.066 9.710 1.00 0.00 N ATOM 726 CA ASP A 267 21.571 -1.481 10.170 1.00 0.00 C ATOM 727 C ASP A 267 20.394 -2.379 9.799 1.00 0.00 C ATOM 728 O ASP A 267 19.295 -2.223 10.329 1.00 0.00 O ATOM 729 CB ASP A 267 21.376 -0.099 9.543 1.00 0.00 C ATOM 730 CG ASP A 267 20.121 0.558 10.110 1.00 0.00 C ATOM 731 OD1 ASP A 267 20.137 0.907 11.278 1.00 0.00 O ATOM 732 OD2 ASP A 267 19.163 0.692 9.370 1.00 0.00 O1- ATOM 0 H ASP A 267 23.103 -1.781 8.772 1.00 0.00 H new ATOM 0 HA ASP A 267 21.615 -1.383 11.255 1.00 0.00 H new ATOM 0 HB2 ASP A 267 22.246 0.526 9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 267 21.291 -0.190 8.460 1.00 0.00 H new ATOM 737 N ALA A 268 20.634 -3.324 8.889 1.00 0.00 N ATOM 738 CA ALA A 268 19.577 -4.236 8.465 1.00 0.00 C ATOM 739 C ALA A 268 19.705 -5.574 9.183 1.00 0.00 C ATOM 740 O ALA A 268 18.844 -6.443 9.046 1.00 0.00 O ATOM 741 CB ALA A 268 19.643 -4.456 6.954 1.00 0.00 C ATOM 0 H ALA A 268 21.537 -3.475 8.439 1.00 0.00 H new ATOM 0 HA ALA A 268 18.617 -3.788 8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 268 18.849 -5.138 6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 268 19.517 -3.502 6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 268 20.610 -4.885 6.691 1.00 0.00 H new ATOM 747 N VAL A 269 20.776 -5.727 9.952 1.00 0.00 N ATOM 748 CA VAL A 269 21.006 -6.958 10.698 1.00 0.00 C ATOM 749 C VAL A 269 20.850 -6.703 12.190 1.00 0.00 C ATOM 750 O VAL A 269 20.572 -7.618 12.963 1.00 0.00 O ATOM 751 CB VAL A 269 22.409 -7.493 10.418 1.00 0.00 C ATOM 752 CG1 VAL A 269 22.681 -8.705 11.313 1.00 0.00 C ATOM 753 CG2 VAL A 269 22.510 -7.914 8.948 1.00 0.00 C ATOM 0 H VAL A 269 21.497 -5.016 10.075 1.00 0.00 H new ATOM 0 HA VAL A 269 20.271 -7.697 10.379 1.00 0.00 H new ATOM 0 HB VAL A 269 23.143 -6.714 10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 269 23.682 -9.087 11.114 1.00 0.00 H new ATOM 0 HG12 VAL A 269 22.608 -8.408 12.359 1.00 0.00 H new ATOM 0 HG13 VAL A 269 21.947 -9.483 11.104 1.00 0.00 H new ATOM 0 HG21 VAL A 269 23.511 -8.296 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 269 21.776 -8.693 8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 269 22.315 -7.053 8.309 1.00 0.00 H new ATOM 763 N THR A 270 21.028 -5.447 12.586 1.00 0.00 N ATOM 764 CA THR A 270 20.903 -5.074 13.988 1.00 0.00 C ATOM 765 C THR A 270 19.472 -4.659 14.304 1.00 0.00 C ATOM 766 O THR A 270 18.863 -5.152 15.255 1.00 0.00 O ATOM 767 CB THR A 270 21.853 -3.918 14.312 1.00 0.00 C ATOM 768 OG1 THR A 270 23.193 -4.338 14.097 1.00 0.00 O ATOM 769 CG2 THR A 270 21.674 -3.502 15.771 1.00 0.00 C ATOM 0 H THR A 270 21.258 -4.676 11.960 1.00 0.00 H new ATOM 0 HA THR A 270 21.164 -5.939 14.598 1.00 0.00 H new ATOM 0 HB THR A 270 21.629 -3.069 13.666 1.00 0.00 H new ATOM 0 HG1 THR A 270 23.484 -4.059 13.204 1.00 0.00 H new ATOM 0 HG21 THR A 270 22.351 -2.679 16.000 1.00 0.00 H new ATOM 0 HG22 THR A 270 20.645 -3.182 15.934 1.00 0.00 H new ATOM 0 HG23 THR A 270 21.898 -4.348 16.421 1.00 0.00 H new ATOM 777 N VAL A 271 18.944 -3.749 13.498 1.00 0.00 N ATOM 778 CA VAL A 271 17.584 -3.261 13.692 1.00 0.00 C ATOM 779 C VAL A 271 16.572 -4.374 13.445 1.00 0.00 C ATOM 780 O VAL A 271 15.492 -4.386 14.035 1.00 0.00 O ATOM 781 CB VAL A 271 17.310 -2.092 12.743 1.00 0.00 C ATOM 782 CG1 VAL A 271 16.849 -2.621 11.383 1.00 0.00 C ATOM 783 CG2 VAL A 271 16.220 -1.198 13.338 1.00 0.00 C ATOM 0 H VAL A 271 19.434 -3.334 12.705 1.00 0.00 H new ATOM 0 HA VAL A 271 17.483 -2.922 14.723 1.00 0.00 H new ATOM 0 HB VAL A 271 18.226 -1.516 12.611 1.00 0.00 H new ATOM 0 HG11 VAL A 271 16.656 -1.783 10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 271 17.626 -3.255 10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 271 15.936 -3.202 11.509 1.00 0.00 H new ATOM 0 HG21 VAL A 271 16.024 -0.365 12.663 1.00 0.00 H new ATOM 0 HG22 VAL A 271 15.307 -1.778 13.473 1.00 0.00 H new ATOM 0 HG23 VAL A 271 16.551 -0.813 14.302 1.00 0.00 H new ATOM 793 N VAL A 272 16.930 -5.307 12.569 1.00 0.00 N ATOM 794 CA VAL A 272 16.042 -6.417 12.250 1.00 0.00 C ATOM 795 C VAL A 272 16.128 -7.502 13.318 1.00 0.00 C ATOM 796 O VAL A 272 15.231 -8.334 13.448 1.00 0.00 O ATOM 797 CB VAL A 272 16.409 -6.998 10.879 1.00 0.00 C ATOM 798 CG1 VAL A 272 17.430 -8.131 11.042 1.00 0.00 C ATOM 799 CG2 VAL A 272 15.148 -7.546 10.205 1.00 0.00 C ATOM 0 H VAL A 272 17.821 -5.317 12.072 1.00 0.00 H new ATOM 0 HA VAL A 272 15.018 -6.045 12.221 1.00 0.00 H new ATOM 0 HB VAL A 272 16.845 -6.210 10.264 1.00 0.00 H new ATOM 0 HG11 VAL A 272 17.683 -8.536 10.062 1.00 0.00 H new ATOM 0 HG12 VAL A 272 18.331 -7.744 11.518 1.00 0.00 H new ATOM 0 HG13 VAL A 272 17.003 -8.920 11.661 1.00 0.00 H new ATOM 0 HG21 VAL A 272 15.407 -7.959 9.230 1.00 0.00 H new ATOM 0 HG22 VAL A 272 14.714 -8.328 10.827 1.00 0.00 H new ATOM 0 HG23 VAL A 272 14.425 -6.741 10.077 1.00 0.00 H new ATOM 809 N LEU A 273 17.217 -7.489 14.077 1.00 0.00 N ATOM 810 CA LEU A 273 17.421 -8.474 15.124 1.00 0.00 C ATOM 811 C LEU A 273 16.373 -8.322 16.223 1.00 0.00 C ATOM 812 O LEU A 273 15.585 -9.237 16.471 1.00 0.00 O ATOM 813 CB LEU A 273 18.819 -8.301 15.719 1.00 0.00 C ATOM 814 CG LEU A 273 19.058 -9.378 16.773 1.00 0.00 C ATOM 815 CD1 LEU A 273 20.354 -10.129 16.459 1.00 0.00 C ATOM 816 CD2 LEU A 273 19.166 -8.730 18.155 1.00 0.00 C ATOM 0 H LEU A 273 17.970 -6.807 13.985 1.00 0.00 H new ATOM 0 HA LEU A 273 17.324 -9.469 14.691 1.00 0.00 H new ATOM 0 HB2 LEU A 273 19.572 -8.372 14.934 1.00 0.00 H new ATOM 0 HB3 LEU A 273 18.916 -7.311 16.166 1.00 0.00 H new ATOM 0 HG LEU A 273 18.223 -10.079 16.765 1.00 0.00 H new ATOM 0 HD11 LEU A 273 20.521 -10.897 17.214 1.00 0.00 H new ATOM 0 HD12 LEU A 273 20.275 -10.596 15.477 1.00 0.00 H new ATOM 0 HD13 LEU A 273 21.190 -9.429 16.462 1.00 0.00 H new ATOM 0 HD21 LEU A 273 19.337 -9.501 18.906 1.00 0.00 H new ATOM 0 HD22 LEU A 273 19.998 -8.026 18.163 1.00 0.00 H new ATOM 0 HD23 LEU A 273 18.240 -8.201 18.382 1.00 0.00 H new ATOM 828 N TYR A 274 16.370 -7.168 16.884 1.00 0.00 N ATOM 829 CA TYR A 274 15.414 -6.921 17.960 1.00 0.00 C ATOM 830 C TYR A 274 14.162 -6.229 17.432 1.00 0.00 C ATOM 831 O TYR A 274 13.310 -5.806 18.215 1.00 0.00 O ATOM 832 CB TYR A 274 16.059 -6.063 19.051 1.00 0.00 C ATOM 833 CG TYR A 274 16.463 -4.726 18.478 1.00 0.00 C ATOM 834 CD1 TYR A 274 17.653 -4.605 17.749 1.00 0.00 C ATOM 835 CD2 TYR A 274 15.650 -3.604 18.681 1.00 0.00 C ATOM 836 CE1 TYR A 274 18.029 -3.362 17.222 1.00 0.00 C ATOM 837 CE2 TYR A 274 16.026 -2.361 18.155 1.00 0.00 C ATOM 838 CZ TYR A 274 17.215 -2.241 17.424 1.00 0.00 C ATOM 839 OH TYR A 274 17.585 -1.018 16.906 1.00 0.00 O ATOM 0 H TYR A 274 17.011 -6.397 16.697 1.00 0.00 H new ATOM 0 HA TYR A 274 15.124 -7.883 18.382 1.00 0.00 H new ATOM 0 HB2 TYR A 274 15.360 -5.920 19.875 1.00 0.00 H new ATOM 0 HB3 TYR A 274 16.932 -6.573 19.459 1.00 0.00 H new ATOM 0 HD1 TYR A 274 18.281 -5.470 17.593 1.00 0.00 H new ATOM 0 HD2 TYR A 274 14.733 -3.697 19.243 1.00 0.00 H new ATOM 0 HE1 TYR A 274 18.947 -3.269 16.660 1.00 0.00 H new ATOM 0 HE2 TYR A 274 15.399 -1.496 18.313 1.00 0.00 H new ATOM 0 HH TYR A 274 16.909 -0.347 17.136 1.00 0.00 H new ATOM 849 N LYS A 275 14.063 -6.133 16.101 1.00 0.00 N ATOM 850 CA LYS A 275 12.917 -5.501 15.433 1.00 0.00 C ATOM 851 C LYS A 275 12.188 -4.522 16.349 1.00 0.00 C ATOM 852 O LYS A 275 10.959 -4.538 16.436 1.00 0.00 O ATOM 853 CB LYS A 275 11.939 -6.574 14.942 1.00 0.00 C ATOM 854 CG LYS A 275 11.555 -7.504 16.099 1.00 0.00 C ATOM 855 CD LYS A 275 12.462 -8.740 16.081 1.00 0.00 C ATOM 856 CE LYS A 275 11.923 -9.756 15.072 1.00 0.00 C ATOM 857 NZ LYS A 275 13.063 -10.468 14.429 1.00 0.00 N1+ ATOM 0 H LYS A 275 14.771 -6.489 15.458 1.00 0.00 H new ATOM 0 HA LYS A 275 13.305 -4.937 14.585 1.00 0.00 H new ATOM 0 HB2 LYS A 275 11.046 -6.103 14.532 1.00 0.00 H new ATOM 0 HB3 LYS A 275 12.394 -7.151 14.137 1.00 0.00 H new ATOM 0 HG2 LYS A 275 11.654 -6.980 17.050 1.00 0.00 H new ATOM 0 HG3 LYS A 275 10.511 -7.804 16.008 1.00 0.00 H new ATOM 0 HD2 LYS A 275 13.480 -8.453 15.816 1.00 0.00 H new ATOM 0 HD3 LYS A 275 12.505 -9.186 17.074 1.00 0.00 H new ATOM 0 HE2 LYS A 275 11.270 -10.471 15.573 1.00 0.00 H new ATOM 0 HE3 LYS A 275 11.323 -9.250 14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 275 12.718 -11.006 13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 275 13.773 -9.775 14.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 275 13.495 -11.121 15.114 1.00 0.00 H new ATOM 871 N LYS A 276 12.949 -3.672 17.030 1.00 0.00 N ATOM 872 CA LYS A 276 12.361 -2.690 17.937 1.00 0.00 C ATOM 873 C LYS A 276 11.489 -3.384 18.980 1.00 0.00 C ATOM 874 O LYS A 276 10.305 -3.629 18.747 1.00 0.00 O ATOM 875 CB LYS A 276 11.519 -1.681 17.151 1.00 0.00 C ATOM 876 CG LYS A 276 12.377 -0.468 16.783 1.00 0.00 C ATOM 877 CD LYS A 276 12.392 0.521 17.951 1.00 0.00 C ATOM 878 CE LYS A 276 13.698 1.317 17.931 1.00 0.00 C ATOM 879 NZ LYS A 276 13.592 2.469 18.870 1.00 0.00 N1+ ATOM 0 H LYS A 276 13.967 -3.642 16.973 1.00 0.00 H new ATOM 0 HA LYS A 276 13.169 -2.163 18.444 1.00 0.00 H new ATOM 0 HB2 LYS A 276 11.125 -2.147 16.248 1.00 0.00 H new ATOM 0 HB3 LYS A 276 10.662 -1.365 17.747 1.00 0.00 H new ATOM 0 HG2 LYS A 276 13.393 -0.786 16.549 1.00 0.00 H new ATOM 0 HG3 LYS A 276 11.980 0.014 15.890 1.00 0.00 H new ATOM 0 HD2 LYS A 276 11.541 1.198 17.879 1.00 0.00 H new ATOM 0 HD3 LYS A 276 12.295 -0.014 18.896 1.00 0.00 H new ATOM 0 HE2 LYS A 276 14.532 0.676 18.218 1.00 0.00 H new ATOM 0 HE3 LYS A 276 13.903 1.674 16.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 14.480 3.011 18.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 12.807 3.085 18.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 13.416 2.117 19.833 1.00 0.00 H new ATOM 893 N LYS A 277 12.083 -3.693 20.127 1.00 0.00 N ATOM 894 CA LYS A 277 11.351 -4.357 21.200 1.00 0.00 C ATOM 895 C LYS A 277 10.858 -3.338 22.222 1.00 0.00 C ATOM 896 O LYS A 277 11.069 -2.157 22.001 1.00 0.00 O ATOM 897 CB LYS A 277 12.255 -5.381 21.890 1.00 0.00 C ATOM 898 CG LYS A 277 13.240 -4.657 22.809 1.00 0.00 C ATOM 899 CD LYS A 277 14.453 -5.554 23.068 1.00 0.00 C ATOM 900 CE LYS A 277 15.302 -4.956 24.191 1.00 0.00 C ATOM 901 NZ LYS A 277 16.571 -5.725 24.318 1.00 0.00 N1+ ATOM 902 OXT LYS A 277 10.278 -3.754 23.213 1.00 0.00 O ATOM 0 H LYS A 277 13.062 -3.497 20.337 1.00 0.00 H new ATOM 0 HA LYS A 277 10.489 -4.866 20.768 1.00 0.00 H new ATOM 0 HB2 LYS A 277 11.653 -6.083 22.466 1.00 0.00 H new ATOM 0 HB3 LYS A 277 12.797 -5.963 21.145 1.00 0.00 H new ATOM 0 HG2 LYS A 277 13.559 -3.720 22.352 1.00 0.00 H new ATOM 0 HG3 LYS A 277 12.755 -4.403 23.751 1.00 0.00 H new ATOM 0 HD2 LYS A 277 14.125 -6.557 23.341 1.00 0.00 H new ATOM 0 HD3 LYS A 277 15.048 -5.650 22.160 1.00 0.00 H new ATOM 0 HE2 LYS A 277 15.519 -3.909 23.979 1.00 0.00 H new ATOM 0 HE3 LYS A 277 14.752 -4.984 25.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 17.148 -5.318 25.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 16.355 -6.718 24.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 17.098 -5.676 23.422 1.00 0.00 H new TER 916 LYS A 277