USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 741 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 63 THR OG1 : rot 10:sc= -0.0265 USER MOD Set 1.2: A 75 SER OG : rot 25:sc= 1.2 USER MOD Single : A 7 SER OG : rot -107:sc= 0.407 USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.0553 (180deg=-0.468) USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= -0.851 (180deg=-1.54) USER MOD Single : A 29 THR OG1 : rot 80:sc= 0.185 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.607 USER MOD Single : A 34 MET CE :methyl -156:sc= -0.242 (180deg=-1.92) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -1.34 (180deg=-1.93) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.841 K(o=-0.84,f=-2.8) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00165 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.071) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -74:sc= 1.11 USER MOD Single : A 77 GLN : amide:sc= -0.785 K(o=-0.79,f=-4.9!) USER MOD Single : A 78 THR OG1 : rot 15:sc= -0.15! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -4.35! C(o=-6.4!,f=-4.4!) USER MOD Single : A 86 GLN : amide:sc= -0.0632 K(o=-0.063,f=-2!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -65:sc= -0.169 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 89.926 4.628 -10.749 1.00 0.00 N ATOM 87 CA VAL A 6 89.624 3.897 -9.475 1.00 0.00 C ATOM 88 C VAL A 6 88.473 2.915 -9.714 1.00 0.00 C ATOM 89 O VAL A 6 87.532 3.210 -10.423 1.00 0.00 O ATOM 90 CB VAL A 6 89.223 4.905 -8.397 1.00 0.00 C ATOM 91 CG1 VAL A 6 89.031 4.177 -7.066 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.327 5.954 -8.248 1.00 0.00 C ATOM 0 HA VAL A 6 90.507 3.348 -9.148 1.00 0.00 H new ATOM 0 HB VAL A 6 88.291 5.393 -8.682 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.745 4.894 -6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.248 3.427 -7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 6 89.963 3.690 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 6 90.044 6.674 -7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.258 5.465 -7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.467 6.472 -9.197 1.00 0.00 H new ATOM 102 N SER A 7 88.545 1.742 -9.136 1.00 0.00 N ATOM 103 CA SER A 7 87.459 0.735 -9.341 1.00 0.00 C ATOM 104 C SER A 7 86.366 0.911 -8.289 1.00 0.00 C ATOM 105 O SER A 7 86.575 0.698 -7.112 1.00 0.00 O ATOM 106 CB SER A 7 88.036 -0.670 -9.226 1.00 0.00 C ATOM 107 OG SER A 7 87.098 -1.608 -9.738 1.00 0.00 O ATOM 0 H SER A 7 89.308 1.438 -8.531 1.00 0.00 H new ATOM 0 HA SER A 7 87.031 0.882 -10.332 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.973 -0.737 -9.779 1.00 0.00 H new ATOM 0 HB3 SER A 7 88.264 -0.898 -8.185 1.00 0.00 H new ATOM 0 HG SER A 7 86.698 -2.109 -8.997 1.00 0.00 H new ATOM 113 N PHE A 8 85.198 1.279 -8.721 1.00 0.00 N ATOM 114 CA PHE A 8 84.054 1.465 -7.778 1.00 0.00 C ATOM 115 C PHE A 8 83.357 0.115 -7.571 1.00 0.00 C ATOM 116 O PHE A 8 83.515 -0.799 -8.355 1.00 0.00 O ATOM 117 CB PHE A 8 83.064 2.474 -8.382 1.00 0.00 C ATOM 118 CG PHE A 8 83.831 3.532 -9.143 1.00 0.00 C ATOM 119 CD1 PHE A 8 84.576 4.491 -8.447 1.00 0.00 C ATOM 120 CD2 PHE A 8 83.801 3.550 -10.544 1.00 0.00 C ATOM 121 CE1 PHE A 8 85.289 5.469 -9.151 1.00 0.00 C ATOM 122 CE2 PHE A 8 84.514 4.528 -11.247 1.00 0.00 C ATOM 123 CZ PHE A 8 85.258 5.487 -10.550 1.00 0.00 C ATOM 0 H PHE A 8 84.979 1.463 -9.700 1.00 0.00 H new ATOM 0 HA PHE A 8 84.413 1.841 -6.820 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.368 1.964 -9.048 1.00 0.00 H new ATOM 0 HB3 PHE A 8 82.471 2.936 -7.593 1.00 0.00 H new ATOM 0 HD1 PHE A 8 84.601 4.477 -7.367 1.00 0.00 H new ATOM 0 HD2 PHE A 8 83.228 2.809 -11.081 1.00 0.00 H new ATOM 0 HE1 PHE A 8 85.863 6.210 -8.614 1.00 0.00 H new ATOM 0 HE2 PHE A 8 84.490 4.543 -12.327 1.00 0.00 H new ATOM 0 HZ PHE A 8 85.809 6.241 -11.092 1.00 0.00 H new ATOM 133 N PHE A 9 82.585 -0.015 -6.527 1.00 0.00 N ATOM 134 CA PHE A 9 81.870 -1.302 -6.269 1.00 0.00 C ATOM 135 C PHE A 9 80.478 -0.985 -5.718 1.00 0.00 C ATOM 136 O PHE A 9 80.333 -0.230 -4.777 1.00 0.00 O ATOM 137 CB PHE A 9 82.654 -2.129 -5.235 1.00 0.00 C ATOM 138 CG PHE A 9 83.767 -2.900 -5.912 1.00 0.00 C ATOM 139 CD1 PHE A 9 84.971 -2.261 -6.232 1.00 0.00 C ATOM 140 CD2 PHE A 9 83.596 -4.259 -6.212 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.002 -2.978 -6.851 1.00 0.00 C ATOM 142 CE2 PHE A 9 84.627 -4.975 -6.832 1.00 0.00 C ATOM 143 CZ PHE A 9 85.830 -4.335 -7.151 1.00 0.00 C ATOM 0 H PHE A 9 82.417 0.717 -5.837 1.00 0.00 H new ATOM 0 HA PHE A 9 81.786 -1.873 -7.194 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.070 -1.470 -4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 9 81.981 -2.820 -4.726 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.104 -1.214 -6.001 1.00 0.00 H new ATOM 0 HD2 PHE A 9 82.668 -4.754 -5.965 1.00 0.00 H new ATOM 0 HE1 PHE A 9 86.930 -2.484 -7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 9 84.494 -6.021 -7.064 1.00 0.00 H new ATOM 0 HZ PHE A 9 86.626 -4.888 -7.628 1.00 0.00 H new ATOM 153 N LEU A 10 79.452 -1.556 -6.288 1.00 0.00 N ATOM 154 CA LEU A 10 78.085 -1.278 -5.776 1.00 0.00 C ATOM 155 C LEU A 10 77.871 -2.076 -4.501 1.00 0.00 C ATOM 156 O LEU A 10 77.606 -3.261 -4.532 1.00 0.00 O ATOM 157 CB LEU A 10 77.038 -1.694 -6.818 1.00 0.00 C ATOM 158 CG LEU A 10 75.614 -1.325 -6.333 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.297 0.122 -6.704 1.00 0.00 C ATOM 160 CD2 LEU A 10 74.586 -2.245 -7.004 1.00 0.00 C ATOM 0 H LEU A 10 79.502 -2.197 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 10 77.980 -0.212 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.245 -1.200 -7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.101 -2.767 -6.997 1.00 0.00 H new ATOM 0 HG LEU A 10 75.569 -1.444 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.294 0.374 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.021 0.786 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.350 0.240 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 10 73.585 -1.983 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 10 74.642 -2.125 -8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 10 74.800 -3.281 -6.742 1.00 0.00 H new ATOM 172 N VAL A 11 77.957 -1.417 -3.381 1.00 0.00 N ATOM 173 CA VAL A 11 77.733 -2.092 -2.075 1.00 0.00 C ATOM 174 C VAL A 11 76.511 -1.448 -1.440 1.00 0.00 C ATOM 175 O VAL A 11 76.261 -0.274 -1.630 1.00 0.00 O ATOM 176 CB VAL A 11 78.959 -1.906 -1.174 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.224 -2.317 -1.938 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.080 -0.438 -0.751 1.00 0.00 C ATOM 0 H VAL A 11 78.177 -0.423 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 11 77.576 -3.162 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 11 78.845 -2.529 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.095 -2.185 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.147 -3.363 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.330 -1.696 -2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 11 79.954 -0.315 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.188 0.188 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.185 -0.142 -0.204 1.00 0.00 H new ATOM 188 N LYS A 12 75.745 -2.194 -0.696 1.00 0.00 N ATOM 189 CA LYS A 12 74.527 -1.613 -0.055 1.00 0.00 C ATOM 190 C LYS A 12 74.800 -1.461 1.434 1.00 0.00 C ATOM 191 O LYS A 12 75.500 -2.253 2.034 1.00 0.00 O ATOM 192 CB LYS A 12 73.322 -2.550 -0.289 1.00 0.00 C ATOM 193 CG LYS A 12 72.491 -2.053 -1.479 1.00 0.00 C ATOM 194 CD LYS A 12 71.533 -3.157 -1.923 1.00 0.00 C ATOM 195 CE LYS A 12 70.759 -2.698 -3.160 1.00 0.00 C ATOM 196 NZ LYS A 12 71.697 -2.561 -4.310 1.00 0.00 N ATOM 0 H LYS A 12 75.907 -3.182 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 12 74.294 -0.640 -0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.672 -3.565 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.702 -2.589 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 12 71.931 -1.161 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.147 -1.772 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.090 -4.067 -2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.840 -3.397 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 12 69.976 -3.417 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.268 -1.745 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.162 -2.603 -5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 72.193 -1.649 -4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.391 -3.335 -4.286 1.00 0.00 H new ATOM 210 N GLU A 13 74.253 -0.438 2.026 1.00 0.00 N ATOM 211 CA GLU A 13 74.463 -0.193 3.483 1.00 0.00 C ATOM 212 C GLU A 13 73.116 -0.236 4.188 1.00 0.00 C ATOM 213 O GLU A 13 72.078 -0.103 3.571 1.00 0.00 O ATOM 214 CB GLU A 13 75.103 1.180 3.684 1.00 0.00 C ATOM 215 CG GLU A 13 76.235 1.362 2.673 1.00 0.00 C ATOM 216 CD GLU A 13 77.003 2.646 2.988 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.359 3.661 3.199 1.00 0.00 O ATOM 218 OE2 GLU A 13 78.221 2.594 3.010 1.00 0.00 O ATOM 0 H GLU A 13 73.661 0.249 1.558 1.00 0.00 H new ATOM 0 HA GLU A 13 75.121 -0.958 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.357 1.964 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.489 1.269 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.908 0.506 2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.830 1.408 1.662 1.00 0.00 H new ATOM 225 N LYS A 14 73.127 -0.430 5.478 1.00 0.00 N ATOM 226 CA LYS A 14 71.854 -0.496 6.257 1.00 0.00 C ATOM 227 C LYS A 14 71.748 0.753 7.138 1.00 0.00 C ATOM 228 O LYS A 14 72.399 0.868 8.157 1.00 0.00 O ATOM 229 CB LYS A 14 71.842 -1.779 7.131 1.00 0.00 C ATOM 230 CG LYS A 14 72.827 -2.828 6.578 1.00 0.00 C ATOM 231 CD LYS A 14 72.430 -3.267 5.145 1.00 0.00 C ATOM 232 CE LYS A 14 71.550 -4.522 5.198 1.00 0.00 C ATOM 233 NZ LYS A 14 70.298 -4.222 5.948 1.00 0.00 N ATOM 0 H LYS A 14 73.974 -0.547 6.034 1.00 0.00 H new ATOM 0 HA LYS A 14 71.001 -0.532 5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.110 -1.528 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 14 70.836 -2.197 7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 14 73.836 -2.415 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 14 72.845 -3.697 7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 14 71.895 -2.460 4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 14 73.326 -3.467 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 14 71.310 -4.854 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 14 72.089 -5.337 5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 69.600 -4.972 5.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 70.506 -4.175 6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 69.913 -3.309 5.630 1.00 0.00 H new ATOM 351 N LEU A 21 67.495 -0.779 1.778 1.00 0.00 N ATOM 352 CA LEU A 21 68.990 -0.816 1.835 1.00 0.00 C ATOM 353 C LEU A 21 69.492 0.458 1.163 1.00 0.00 C ATOM 354 O LEU A 21 68.783 1.053 0.376 1.00 0.00 O ATOM 355 CB LEU A 21 69.511 -2.043 1.078 1.00 0.00 C ATOM 356 CG LEU A 21 68.645 -3.258 1.424 1.00 0.00 C ATOM 357 CD1 LEU A 21 69.187 -4.500 0.713 1.00 0.00 C ATOM 358 CD2 LEU A 21 68.666 -3.486 2.940 1.00 0.00 C ATOM 0 HA LEU A 21 69.340 -0.879 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.487 -1.859 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.550 -2.235 1.345 1.00 0.00 H new ATOM 0 HG LEU A 21 67.622 -3.075 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.568 -5.361 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 21 69.168 -4.339 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.212 -4.685 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 21 68.050 -4.351 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 21 69.690 -3.665 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 21 68.273 -2.604 3.446 1.00 0.00 H new ATOM 370 N VAL A 22 70.690 0.898 1.461 1.00 0.00 N ATOM 371 CA VAL A 22 71.195 2.157 0.823 1.00 0.00 C ATOM 372 C VAL A 22 72.363 1.825 -0.142 1.00 0.00 C ATOM 373 O VAL A 22 73.434 1.485 0.319 1.00 0.00 O ATOM 374 CB VAL A 22 71.707 3.072 1.946 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.530 4.224 1.360 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.511 3.644 2.714 1.00 0.00 C ATOM 0 H VAL A 22 71.335 0.447 2.110 1.00 0.00 H new ATOM 0 HA VAL A 22 70.401 2.643 0.257 1.00 0.00 H new ATOM 0 HB VAL A 22 72.340 2.491 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.886 4.864 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.383 3.821 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 22 71.907 4.808 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.869 4.294 3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.882 4.218 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.930 2.828 3.144 1.00 0.00 H new ATOM 386 N PRO A 23 72.158 1.965 -1.450 1.00 0.00 N ATOM 387 CA PRO A 23 73.239 1.710 -2.430 1.00 0.00 C ATOM 388 C PRO A 23 74.436 2.634 -2.168 1.00 0.00 C ATOM 389 O PRO A 23 74.285 3.757 -1.728 1.00 0.00 O ATOM 390 CB PRO A 23 72.600 2.021 -3.801 1.00 0.00 C ATOM 391 CG PRO A 23 71.074 2.108 -3.578 1.00 0.00 C ATOM 392 CD PRO A 23 70.860 2.333 -2.069 1.00 0.00 C ATOM 0 HA PRO A 23 73.619 0.690 -2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 23 72.985 2.958 -4.202 1.00 0.00 H new ATOM 0 HB3 PRO A 23 72.840 1.242 -4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.644 2.926 -4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.582 1.193 -3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.598 3.369 -1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.048 1.714 -1.687 1.00 0.00 H new ATOM 400 N ARG A 24 75.622 2.171 -2.453 1.00 0.00 N ATOM 401 CA ARG A 24 76.829 3.022 -2.242 1.00 0.00 C ATOM 402 C ARG A 24 77.945 2.553 -3.176 1.00 0.00 C ATOM 403 O ARG A 24 78.073 1.378 -3.458 1.00 0.00 O ATOM 404 CB ARG A 24 77.289 2.912 -0.781 1.00 0.00 C ATOM 405 CG ARG A 24 78.331 4.004 -0.465 1.00 0.00 C ATOM 406 CD ARG A 24 77.629 5.303 -0.044 1.00 0.00 C ATOM 407 NE ARG A 24 77.261 5.222 1.397 1.00 0.00 N ATOM 408 CZ ARG A 24 76.936 6.305 2.048 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.923 7.456 1.434 1.00 0.00 N ATOM 410 NH2 ARG A 24 76.621 6.237 3.313 1.00 0.00 N ATOM 0 H ARG A 24 75.808 1.239 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 24 76.587 4.062 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.433 3.013 -0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.719 1.927 -0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.993 3.665 0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.954 4.186 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.285 6.156 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.737 5.460 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 24 77.263 4.321 1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.167 7.509 0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.669 8.303 1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.629 5.337 3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 24 76.367 7.084 3.822 1.00 0.00 H new ATOM 424 N LEU A 25 78.765 3.458 -3.642 1.00 0.00 N ATOM 425 CA LEU A 25 79.893 3.076 -4.542 1.00 0.00 C ATOM 426 C LEU A 25 81.182 3.153 -3.722 1.00 0.00 C ATOM 427 O LEU A 25 81.340 4.028 -2.894 1.00 0.00 O ATOM 428 CB LEU A 25 79.947 4.052 -5.720 1.00 0.00 C ATOM 429 CG LEU A 25 78.827 3.741 -6.725 1.00 0.00 C ATOM 430 CD1 LEU A 25 78.764 4.867 -7.764 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.084 2.396 -7.434 1.00 0.00 C ATOM 0 H LEU A 25 78.701 4.455 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 25 79.762 2.068 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 25 79.846 5.075 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 25 80.916 3.983 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 25 77.880 3.670 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 25 77.972 4.655 -8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.557 5.813 -7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.718 4.934 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.278 2.197 -8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.032 2.442 -7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.123 1.596 -6.694 1.00 0.00 H new ATOM 443 N LEU A 26 82.088 2.226 -3.916 1.00 0.00 N ATOM 444 CA LEU A 26 83.358 2.216 -3.116 1.00 0.00 C ATOM 445 C LEU A 26 84.573 2.134 -4.047 1.00 0.00 C ATOM 446 O LEU A 26 84.851 1.114 -4.645 1.00 0.00 O ATOM 447 CB LEU A 26 83.326 0.991 -2.192 1.00 0.00 C ATOM 448 CG LEU A 26 84.505 1.019 -1.201 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.220 1.996 -0.052 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.709 -0.383 -0.616 1.00 0.00 C ATOM 0 H LEU A 26 82.004 1.471 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 26 83.439 3.133 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.385 0.969 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.368 0.080 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 26 85.399 1.343 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.064 2.002 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.073 2.998 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.321 1.682 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.543 -0.367 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.803 -0.696 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 26 84.926 -1.085 -1.421 1.00 0.00 H new ATOM 462 N GLY A 27 85.298 3.213 -4.154 1.00 0.00 N ATOM 463 CA GLY A 27 86.508 3.248 -5.024 1.00 0.00 C ATOM 464 C GLY A 27 87.714 2.696 -4.269 1.00 0.00 C ATOM 465 O GLY A 27 88.022 3.124 -3.176 1.00 0.00 O ATOM 0 H GLY A 27 85.100 4.087 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.334 2.661 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.706 4.271 -5.343 1.00 0.00 H new ATOM 469 N ILE A 28 88.406 1.751 -4.852 1.00 0.00 N ATOM 470 CA ILE A 28 89.606 1.165 -4.180 1.00 0.00 C ATOM 471 C ILE A 28 90.870 1.754 -4.804 1.00 0.00 C ATOM 472 O ILE A 28 91.191 1.478 -5.943 1.00 0.00 O ATOM 473 CB ILE A 28 89.618 -0.355 -4.377 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.231 -0.934 -4.073 1.00 0.00 C ATOM 475 CG2 ILE A 28 90.648 -0.977 -3.436 1.00 0.00 C ATOM 476 CD1 ILE A 28 87.731 -0.433 -2.716 1.00 0.00 C ATOM 0 H ILE A 28 88.191 1.358 -5.768 1.00 0.00 H new ATOM 0 HA ILE A 28 89.571 1.396 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 28 89.879 -0.582 -5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.530 -0.645 -4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.277 -2.023 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 28 90.660 -2.058 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.635 -0.572 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.385 -0.745 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 28 86.745 -0.852 -2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 28 88.425 -0.744 -1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 28 87.666 0.655 -2.731 1.00 0.00 H new ATOM 488 N THR A 29 91.600 2.553 -4.065 1.00 0.00 N ATOM 489 CA THR A 29 92.856 3.151 -4.611 1.00 0.00 C ATOM 490 C THR A 29 94.045 2.371 -4.048 1.00 0.00 C ATOM 491 O THR A 29 93.912 1.614 -3.107 1.00 0.00 O ATOM 492 CB THR A 29 92.947 4.633 -4.194 1.00 0.00 C ATOM 493 OG1 THR A 29 91.637 5.175 -4.110 1.00 0.00 O ATOM 494 CG2 THR A 29 93.755 5.421 -5.231 1.00 0.00 C ATOM 0 H THR A 29 91.379 2.817 -3.105 1.00 0.00 H new ATOM 0 HA THR A 29 92.860 3.096 -5.700 1.00 0.00 H new ATOM 0 HB THR A 29 93.442 4.704 -3.226 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.231 4.919 -3.256 1.00 0.00 H new ATOM 0 HG21 THR A 29 93.814 6.466 -4.928 1.00 0.00 H new ATOM 0 HG22 THR A 29 94.761 5.006 -5.301 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.266 5.352 -6.203 1.00 0.00 H new ATOM 502 N LYS A 30 95.201 2.540 -4.616 1.00 0.00 N ATOM 503 CA LYS A 30 96.385 1.798 -4.109 1.00 0.00 C ATOM 504 C LYS A 30 96.832 2.388 -2.773 1.00 0.00 C ATOM 505 O LYS A 30 97.447 1.720 -1.968 1.00 0.00 O ATOM 506 CB LYS A 30 97.523 1.913 -5.120 1.00 0.00 C ATOM 507 CG LYS A 30 97.821 3.392 -5.364 1.00 0.00 C ATOM 508 CD LYS A 30 98.877 3.546 -6.468 1.00 0.00 C ATOM 509 CE LYS A 30 98.228 3.412 -7.852 1.00 0.00 C ATOM 510 NZ LYS A 30 99.195 3.853 -8.896 1.00 0.00 N ATOM 0 H LYS A 30 95.379 3.158 -5.408 1.00 0.00 H new ATOM 0 HA LYS A 30 96.121 0.750 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.412 1.406 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.248 1.425 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.907 3.912 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 30 98.177 3.855 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.365 4.517 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.651 2.788 -6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 30 97.932 2.378 -8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.322 4.016 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 98.757 3.763 -9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 99.457 4.846 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.047 3.259 -8.853 1.00 0.00 H new ATOM 524 N GLU A 31 96.536 3.641 -2.538 1.00 0.00 N ATOM 525 CA GLU A 31 96.954 4.295 -1.258 1.00 0.00 C ATOM 526 C GLU A 31 95.755 4.466 -0.322 1.00 0.00 C ATOM 527 O GLU A 31 95.912 4.861 0.816 1.00 0.00 O ATOM 528 CB GLU A 31 97.536 5.683 -1.565 1.00 0.00 C ATOM 529 CG GLU A 31 98.866 5.563 -2.349 1.00 0.00 C ATOM 530 CD GLU A 31 99.914 6.532 -1.784 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.577 6.165 -0.828 1.00 0.00 O ATOM 532 OE2 GLU A 31 100.034 7.622 -2.319 1.00 0.00 O ATOM 0 H GLU A 31 96.020 4.243 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 31 97.700 3.664 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 31 96.818 6.263 -2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 31 97.705 6.225 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.239 4.540 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 31 98.694 5.779 -3.403 1.00 0.00 H new ATOM 539 N CYS A 32 94.559 4.197 -0.773 1.00 0.00 N ATOM 540 CA CYS A 32 93.393 4.386 0.139 1.00 0.00 C ATOM 541 C CYS A 32 92.099 3.873 -0.505 1.00 0.00 C ATOM 542 O CYS A 32 92.015 3.660 -1.697 1.00 0.00 O ATOM 543 CB CYS A 32 93.252 5.891 0.441 1.00 0.00 C ATOM 544 SG CYS A 32 93.853 6.849 -0.973 1.00 0.00 S ATOM 0 H CYS A 32 94.341 3.862 -1.711 1.00 0.00 H new ATOM 0 HA CYS A 32 93.562 3.821 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.209 6.136 0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 32 93.819 6.148 1.336 1.00 0.00 H new ATOM 0 HG CYS A 32 93.732 8.118 -0.720 1.00 0.00 H new ATOM 550 N VAL A 33 91.075 3.717 0.296 1.00 0.00 N ATOM 551 CA VAL A 33 89.749 3.268 -0.224 1.00 0.00 C ATOM 552 C VAL A 33 88.872 4.513 -0.303 1.00 0.00 C ATOM 553 O VAL A 33 88.868 5.308 0.611 1.00 0.00 O ATOM 554 CB VAL A 33 89.134 2.262 0.753 1.00 0.00 C ATOM 555 CG1 VAL A 33 87.752 1.838 0.257 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.039 1.033 0.856 1.00 0.00 C ATOM 0 H VAL A 33 91.103 3.884 1.302 1.00 0.00 H new ATOM 0 HA VAL A 33 89.842 2.788 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 33 89.036 2.727 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.319 1.122 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.106 2.713 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 33 87.844 1.376 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 33 89.602 0.316 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.139 0.571 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.023 1.335 1.216 1.00 0.00 H new ATOM 566 N MET A 34 88.150 4.720 -1.380 1.00 0.00 N ATOM 567 CA MET A 34 87.311 5.960 -1.483 1.00 0.00 C ATOM 568 C MET A 34 85.845 5.649 -1.208 1.00 0.00 C ATOM 569 O MET A 34 85.302 4.679 -1.696 1.00 0.00 O ATOM 570 CB MET A 34 87.449 6.564 -2.896 1.00 0.00 C ATOM 571 CG MET A 34 88.816 6.204 -3.494 1.00 0.00 C ATOM 572 SD MET A 34 89.285 7.447 -4.726 1.00 0.00 S ATOM 573 CE MET A 34 87.724 7.478 -5.644 1.00 0.00 C ATOM 0 H MET A 34 88.104 4.093 -2.183 1.00 0.00 H new ATOM 0 HA MET A 34 87.662 6.674 -0.738 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.652 6.190 -3.539 1.00 0.00 H new ATOM 0 HB3 MET A 34 87.338 7.647 -2.849 1.00 0.00 H new ATOM 0 HG2 MET A 34 89.568 6.156 -2.706 1.00 0.00 H new ATOM 0 HG3 MET A 34 88.774 5.217 -3.955 1.00 0.00 H new ATOM 0 HE1 MET A 34 87.906 7.829 -6.660 1.00 0.00 H new ATOM 0 HE2 MET A 34 87.302 6.474 -5.678 1.00 0.00 H new ATOM 0 HE3 MET A 34 87.023 8.150 -5.148 1.00 0.00 H new ATOM 583 N ARG A 35 85.186 6.499 -0.463 1.00 0.00 N ATOM 584 CA ARG A 35 83.737 6.282 -0.196 1.00 0.00 C ATOM 585 C ARG A 35 82.990 7.063 -1.262 1.00 0.00 C ATOM 586 O ARG A 35 83.105 8.270 -1.345 1.00 0.00 O ATOM 587 CB ARG A 35 83.354 6.834 1.183 1.00 0.00 C ATOM 588 CG ARG A 35 83.875 5.914 2.311 1.00 0.00 C ATOM 589 CD ARG A 35 82.949 6.003 3.540 1.00 0.00 C ATOM 590 NE ARG A 35 82.301 7.346 3.588 1.00 0.00 N ATOM 591 CZ ARG A 35 81.268 7.545 4.362 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.797 6.567 5.088 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.704 8.721 4.407 1.00 0.00 N ATOM 0 H ARG A 35 85.589 7.330 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 35 83.496 5.219 -0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.767 7.835 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.270 6.925 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.924 4.884 1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.888 6.204 2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 35 82.189 5.224 3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.522 5.833 4.452 1.00 0.00 H new ATOM 0 HE ARG A 35 82.665 8.109 3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.236 5.647 5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.990 6.723 5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 35 81.070 9.484 3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.897 8.877 5.011 1.00 0.00 H new ATOM 607 N VAL A 36 82.259 6.385 -2.107 1.00 0.00 N ATOM 608 CA VAL A 36 81.537 7.081 -3.208 1.00 0.00 C ATOM 609 C VAL A 36 80.042 6.791 -3.127 1.00 0.00 C ATOM 610 O VAL A 36 79.616 5.655 -3.082 1.00 0.00 O ATOM 611 CB VAL A 36 82.100 6.577 -4.538 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.480 7.361 -5.700 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.621 6.766 -4.547 1.00 0.00 C ATOM 0 H VAL A 36 82.131 5.373 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 36 81.676 8.159 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 36 81.859 5.520 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 36 81.886 6.996 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.398 7.226 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.714 8.420 -5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.027 6.408 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 36 83.857 7.823 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.063 6.201 -3.726 1.00 0.00 H new ATOM 623 N ASP A 37 79.242 7.821 -3.120 1.00 0.00 N ATOM 624 CA ASP A 37 77.771 7.625 -3.058 1.00 0.00 C ATOM 625 C ASP A 37 77.295 7.112 -4.410 1.00 0.00 C ATOM 626 O ASP A 37 77.850 7.436 -5.432 1.00 0.00 O ATOM 627 CB ASP A 37 77.087 8.958 -2.745 1.00 0.00 C ATOM 628 CG ASP A 37 75.643 8.703 -2.311 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.223 7.559 -2.362 1.00 0.00 O ATOM 630 OD2 ASP A 37 74.982 9.656 -1.934 1.00 0.00 O ATOM 0 H ASP A 37 79.548 8.794 -3.155 1.00 0.00 H new ATOM 0 HA ASP A 37 77.522 6.907 -2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.628 9.480 -1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 37 77.105 9.603 -3.624 1.00 0.00 H new ATOM 635 N GLU A 38 76.269 6.318 -4.424 1.00 0.00 N ATOM 636 CA GLU A 38 75.751 5.788 -5.713 1.00 0.00 C ATOM 637 C GLU A 38 74.722 6.774 -6.235 1.00 0.00 C ATOM 638 O GLU A 38 74.430 6.854 -7.411 1.00 0.00 O ATOM 639 CB GLU A 38 75.093 4.443 -5.437 1.00 0.00 C ATOM 640 CG GLU A 38 74.902 3.656 -6.730 1.00 0.00 C ATOM 641 CD GLU A 38 73.807 4.312 -7.575 1.00 0.00 C ATOM 642 OE1 GLU A 38 72.702 4.449 -7.075 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.091 4.664 -8.708 1.00 0.00 O ATOM 0 H GLU A 38 75.762 6.010 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 38 76.546 5.660 -6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.707 3.868 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.128 4.598 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 38 75.837 3.624 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 38 74.631 2.625 -6.503 1.00 0.00 H new ATOM 650 N LYS A 39 74.184 7.524 -5.334 1.00 0.00 N ATOM 651 CA LYS A 39 73.167 8.534 -5.680 1.00 0.00 C ATOM 652 C LYS A 39 73.828 9.690 -6.424 1.00 0.00 C ATOM 653 O LYS A 39 73.399 10.088 -7.489 1.00 0.00 O ATOM 654 CB LYS A 39 72.563 9.047 -4.381 1.00 0.00 C ATOM 655 CG LYS A 39 71.441 10.041 -4.683 1.00 0.00 C ATOM 656 CD LYS A 39 70.858 10.560 -3.369 1.00 0.00 C ATOM 657 CE LYS A 39 69.557 11.315 -3.651 1.00 0.00 C ATOM 658 NZ LYS A 39 69.122 12.034 -2.420 1.00 0.00 N ATOM 0 H LYS A 39 74.414 7.478 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 39 72.397 8.099 -6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.174 8.213 -3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.333 9.527 -3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.825 10.871 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.662 9.559 -5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.669 9.729 -2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.573 11.218 -2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.705 12.024 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 39 68.782 10.619 -3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.238 12.547 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 68.965 11.348 -1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.859 12.710 -2.134 1.00 0.00 H new ATOM 672 N THR A 40 74.868 10.238 -5.856 1.00 0.00 N ATOM 673 CA THR A 40 75.572 11.386 -6.502 1.00 0.00 C ATOM 674 C THR A 40 76.836 10.897 -7.215 1.00 0.00 C ATOM 675 O THR A 40 77.505 11.657 -7.884 1.00 0.00 O ATOM 676 CB THR A 40 75.957 12.411 -5.426 1.00 0.00 C ATOM 677 OG1 THR A 40 74.889 12.541 -4.498 1.00 0.00 O ATOM 678 CG2 THR A 40 76.234 13.766 -6.079 1.00 0.00 C ATOM 0 H THR A 40 75.264 9.938 -4.965 1.00 0.00 H new ATOM 0 HA THR A 40 74.909 11.847 -7.234 1.00 0.00 H new ATOM 0 HB THR A 40 76.854 12.073 -4.907 1.00 0.00 H new ATOM 0 HG1 THR A 40 75.132 13.194 -3.809 1.00 0.00 H new ATOM 0 HG21 THR A 40 76.507 14.491 -5.312 1.00 0.00 H new ATOM 0 HG22 THR A 40 77.053 13.666 -6.791 1.00 0.00 H new ATOM 0 HG23 THR A 40 75.340 14.108 -6.600 1.00 0.00 H new ATOM 686 N LYS A 41 77.179 9.641 -7.086 1.00 0.00 N ATOM 687 CA LYS A 41 78.405 9.155 -7.775 1.00 0.00 C ATOM 688 C LYS A 41 79.584 10.065 -7.411 1.00 0.00 C ATOM 689 O LYS A 41 80.548 10.166 -8.144 1.00 0.00 O ATOM 690 CB LYS A 41 78.174 9.185 -9.292 1.00 0.00 C ATOM 691 CG LYS A 41 79.127 8.207 -9.979 1.00 0.00 C ATOM 692 CD LYS A 41 79.123 8.459 -11.488 1.00 0.00 C ATOM 693 CE LYS A 41 77.696 8.346 -12.030 1.00 0.00 C ATOM 694 NZ LYS A 41 77.005 7.195 -11.383 1.00 0.00 N ATOM 0 H LYS A 41 76.671 8.943 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 41 78.628 8.135 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 41 77.141 8.920 -9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 41 78.335 10.193 -9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 41 80.135 8.328 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 41 78.823 7.181 -9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 41 79.525 9.449 -11.701 1.00 0.00 H new ATOM 0 HD3 LYS A 41 79.770 7.738 -11.988 1.00 0.00 H new ATOM 0 HE2 LYS A 41 77.148 9.268 -11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 41 77.717 8.210 -13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 76.214 6.884 -11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 77.677 6.410 -11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 76.642 7.486 -10.453 1.00 0.00 H new ATOM 708 N GLU A 42 79.508 10.734 -6.283 1.00 0.00 N ATOM 709 CA GLU A 42 80.617 11.652 -5.859 1.00 0.00 C ATOM 710 C GLU A 42 81.406 11.001 -4.717 1.00 0.00 C ATOM 711 O GLU A 42 80.941 10.085 -4.079 1.00 0.00 O ATOM 712 CB GLU A 42 80.004 12.991 -5.383 1.00 0.00 C ATOM 713 CG GLU A 42 80.571 14.161 -6.193 1.00 0.00 C ATOM 714 CD GLU A 42 80.154 14.019 -7.658 1.00 0.00 C ATOM 715 OE1 GLU A 42 79.172 13.341 -7.910 1.00 0.00 O ATOM 716 OE2 GLU A 42 80.825 14.589 -8.502 1.00 0.00 O ATOM 0 H GLU A 42 78.722 10.684 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 42 81.291 11.838 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 42 78.920 12.959 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.216 13.138 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 42 80.206 15.106 -5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.658 14.179 -6.114 1.00 0.00 H new ATOM 723 N VAL A 43 82.589 11.489 -4.453 1.00 0.00 N ATOM 724 CA VAL A 43 83.413 10.917 -3.347 1.00 0.00 C ATOM 725 C VAL A 43 82.947 11.510 -2.019 1.00 0.00 C ATOM 726 O VAL A 43 82.902 12.712 -1.850 1.00 0.00 O ATOM 727 CB VAL A 43 84.886 11.267 -3.569 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.715 10.763 -2.386 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.385 10.607 -4.855 1.00 0.00 C ATOM 0 H VAL A 43 83.022 12.262 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 43 83.299 9.833 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 43 84.989 12.349 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.764 11.012 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.364 11.235 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.608 9.682 -2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.434 10.859 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.279 9.525 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 43 84.797 10.966 -5.700 1.00 0.00 H new ATOM 739 N ILE A 44 82.592 10.675 -1.075 1.00 0.00 N ATOM 740 CA ILE A 44 82.118 11.184 0.244 1.00 0.00 C ATOM 741 C ILE A 44 83.251 11.119 1.269 1.00 0.00 C ATOM 742 O ILE A 44 83.308 11.913 2.188 1.00 0.00 O ATOM 743 CB ILE A 44 80.948 10.326 0.724 1.00 0.00 C ATOM 744 CG1 ILE A 44 79.903 10.205 -0.397 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.312 10.976 1.953 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.519 11.594 -0.924 1.00 0.00 C ATOM 0 H ILE A 44 82.611 9.659 -1.163 1.00 0.00 H new ATOM 0 HA ILE A 44 81.797 12.220 0.135 1.00 0.00 H new ATOM 0 HB ILE A 44 81.310 9.332 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.301 9.598 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.016 9.693 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.477 10.365 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.054 11.056 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 44 79.951 11.971 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 44 78.778 11.490 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.100 12.188 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.405 12.091 -1.318 1.00 0.00 H new ATOM 758 N GLN A 45 84.155 10.188 1.130 1.00 0.00 N ATOM 759 CA GLN A 45 85.271 10.099 2.116 1.00 0.00 C ATOM 760 C GLN A 45 86.326 9.103 1.635 1.00 0.00 C ATOM 761 O GLN A 45 86.104 8.330 0.730 1.00 0.00 O ATOM 762 CB GLN A 45 84.732 9.650 3.479 1.00 0.00 C ATOM 763 CG GLN A 45 85.878 9.597 4.497 1.00 0.00 C ATOM 764 CD GLN A 45 85.310 9.636 5.917 1.00 0.00 C ATOM 765 OE1 GLN A 45 84.326 8.987 6.210 1.00 0.00 O ATOM 766 NE2 GLN A 45 85.896 10.376 6.815 1.00 0.00 N ATOM 0 H GLN A 45 84.171 9.492 0.385 1.00 0.00 H new ATOM 0 HA GLN A 45 85.727 11.084 2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 45 83.961 10.340 3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.265 8.669 3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.462 8.688 4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.554 10.438 4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.722 10.920 6.567 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.529 10.411 7.766 1.00 0.00 H new ATOM 775 N GLU A 46 87.480 9.131 2.246 1.00 0.00 N ATOM 776 CA GLU A 46 88.591 8.208 1.863 1.00 0.00 C ATOM 777 C GLU A 46 89.196 7.576 3.122 1.00 0.00 C ATOM 778 O GLU A 46 89.009 8.053 4.224 1.00 0.00 O ATOM 779 CB GLU A 46 89.671 8.994 1.105 1.00 0.00 C ATOM 780 CG GLU A 46 89.270 9.138 -0.367 1.00 0.00 C ATOM 781 CD GLU A 46 90.118 10.229 -1.025 1.00 0.00 C ATOM 782 OE1 GLU A 46 90.255 11.285 -0.430 1.00 0.00 O ATOM 783 OE2 GLU A 46 90.616 9.989 -2.113 1.00 0.00 O ATOM 0 H GLU A 46 87.705 9.768 3.010 1.00 0.00 H new ATOM 0 HA GLU A 46 88.201 7.419 1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.800 9.979 1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 46 90.629 8.480 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.411 8.191 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.212 9.390 -0.443 1.00 0.00 H new ATOM 790 N TRP A 47 89.921 6.495 2.957 1.00 0.00 N ATOM 791 CA TRP A 47 90.549 5.807 4.125 1.00 0.00 C ATOM 792 C TRP A 47 91.962 5.366 3.750 1.00 0.00 C ATOM 793 O TRP A 47 92.218 4.976 2.634 1.00 0.00 O ATOM 794 CB TRP A 47 89.726 4.575 4.489 1.00 0.00 C ATOM 795 CG TRP A 47 88.348 4.993 4.886 1.00 0.00 C ATOM 796 CD1 TRP A 47 87.319 5.186 4.028 1.00 0.00 C ATOM 797 CD2 TRP A 47 87.827 5.276 6.218 1.00 0.00 C ATOM 798 NE1 TRP A 47 86.203 5.566 4.748 1.00 0.00 N ATOM 799 CE2 TRP A 47 86.464 5.635 6.099 1.00 0.00 C ATOM 800 CE3 TRP A 47 88.396 5.256 7.504 1.00 0.00 C ATOM 801 CZ2 TRP A 47 85.693 5.962 7.211 1.00 0.00 C ATOM 802 CZ3 TRP A 47 87.622 5.585 8.630 1.00 0.00 C ATOM 803 CH2 TRP A 47 86.272 5.937 8.483 1.00 0.00 C ATOM 0 H TRP A 47 90.105 6.058 2.054 1.00 0.00 H new ATOM 0 HA TRP A 47 90.586 6.491 4.973 1.00 0.00 H new ATOM 0 HB2 TRP A 47 89.680 3.892 3.641 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.203 4.035 5.307 1.00 0.00 H new ATOM 0 HD1 TRP A 47 87.363 5.063 2.956 1.00 0.00 H new ATOM 0 HE1 TRP A 47 85.295 5.771 4.330 1.00 0.00 H new ATOM 0 HE3 TRP A 47 89.434 4.986 7.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 84.654 6.233 7.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 88.069 5.567 9.613 1.00 0.00 H new ATOM 0 HH2 TRP A 47 85.681 6.188 9.351 1.00 0.00 H new ATOM 814 N SER A 48 92.880 5.416 4.670 1.00 0.00 N ATOM 815 CA SER A 48 94.272 4.996 4.346 1.00 0.00 C ATOM 816 C SER A 48 94.358 3.470 4.303 1.00 0.00 C ATOM 817 O SER A 48 93.875 2.784 5.182 1.00 0.00 O ATOM 818 CB SER A 48 95.228 5.539 5.405 1.00 0.00 C ATOM 819 OG SER A 48 95.425 6.930 5.189 1.00 0.00 O ATOM 0 H SER A 48 92.730 5.728 5.629 1.00 0.00 H new ATOM 0 HA SER A 48 94.550 5.394 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 48 94.821 5.368 6.401 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.181 5.013 5.355 1.00 0.00 H new ATOM 0 HG SER A 48 96.037 7.283 5.868 1.00 0.00 H new ATOM 825 N LEU A 49 94.975 2.933 3.287 1.00 0.00 N ATOM 826 CA LEU A 49 95.099 1.454 3.188 1.00 0.00 C ATOM 827 C LEU A 49 95.992 0.961 4.333 1.00 0.00 C ATOM 828 O LEU A 49 95.888 -0.166 4.776 1.00 0.00 O ATOM 829 CB LEU A 49 95.726 1.093 1.818 1.00 0.00 C ATOM 830 CG LEU A 49 94.648 0.565 0.855 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.135 0.696 -0.592 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.360 -0.910 1.158 1.00 0.00 C ATOM 0 H LEU A 49 95.399 3.456 2.521 1.00 0.00 H new ATOM 0 HA LEU A 49 94.121 0.978 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.207 1.972 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.502 0.339 1.954 1.00 0.00 H new ATOM 0 HG LEU A 49 93.738 1.150 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.368 0.321 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.335 1.744 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.049 0.117 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.596 -1.280 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.273 -1.492 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.006 -1.008 2.184 1.00 0.00 H new ATOM 844 N THR A 50 96.870 1.799 4.806 1.00 0.00 N ATOM 845 CA THR A 50 97.774 1.391 5.912 1.00 0.00 C ATOM 846 C THR A 50 97.001 1.386 7.234 1.00 0.00 C ATOM 847 O THR A 50 97.497 0.948 8.253 1.00 0.00 O ATOM 848 CB THR A 50 98.943 2.380 5.998 1.00 0.00 C ATOM 849 OG1 THR A 50 99.361 2.724 4.685 1.00 0.00 O ATOM 850 CG2 THR A 50 100.116 1.750 6.756 1.00 0.00 C ATOM 0 H THR A 50 97.000 2.754 4.471 1.00 0.00 H new ATOM 0 HA THR A 50 98.158 0.389 5.721 1.00 0.00 H new ATOM 0 HB THR A 50 98.616 3.273 6.531 1.00 0.00 H new ATOM 0 HG1 THR A 50 100.107 3.357 4.735 1.00 0.00 H new ATOM 0 HG21 THR A 50 100.939 2.463 6.810 1.00 0.00 H new ATOM 0 HG22 THR A 50 99.798 1.486 7.765 1.00 0.00 H new ATOM 0 HG23 THR A 50 100.447 0.852 6.234 1.00 0.00 H new ATOM 858 N ASN A 51 95.789 1.873 7.227 1.00 0.00 N ATOM 859 CA ASN A 51 94.983 1.900 8.485 1.00 0.00 C ATOM 860 C ASN A 51 94.167 0.609 8.601 1.00 0.00 C ATOM 861 O ASN A 51 93.755 0.222 9.676 1.00 0.00 O ATOM 862 CB ASN A 51 94.036 3.106 8.458 1.00 0.00 C ATOM 863 CG ASN A 51 94.821 4.379 8.780 1.00 0.00 C ATOM 864 OD1 ASN A 51 96.019 4.433 8.587 1.00 0.00 O ATOM 865 ND2 ASN A 51 94.192 5.413 9.267 1.00 0.00 N ATOM 0 H ASN A 51 95.321 2.254 6.405 1.00 0.00 H new ATOM 0 HA ASN A 51 95.651 1.982 9.342 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.568 3.193 7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.233 2.968 9.183 1.00 0.00 H new ATOM 0 HD21 ASN A 51 94.706 6.266 9.486 1.00 0.00 H new ATOM 0 HD22 ASN A 51 93.186 5.368 9.429 1.00 0.00 H new ATOM 872 N ILE A 52 93.930 -0.060 7.506 1.00 0.00 N ATOM 873 CA ILE A 52 93.139 -1.323 7.567 1.00 0.00 C ATOM 874 C ILE A 52 93.941 -2.392 8.314 1.00 0.00 C ATOM 875 O ILE A 52 95.034 -2.752 7.922 1.00 0.00 O ATOM 876 CB ILE A 52 92.833 -1.805 6.145 1.00 0.00 C ATOM 877 CG1 ILE A 52 92.195 -0.659 5.348 1.00 0.00 C ATOM 878 CG2 ILE A 52 91.863 -2.990 6.201 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.761 -1.164 3.968 1.00 0.00 C ATOM 0 H ILE A 52 94.248 0.211 6.575 1.00 0.00 H new ATOM 0 HA ILE A 52 92.202 -1.141 8.094 1.00 0.00 H new ATOM 0 HB ILE A 52 93.758 -2.119 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 52 91.334 -0.264 5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.906 0.160 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.647 -3.331 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.314 -3.803 6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 52 90.937 -2.680 6.685 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.309 -0.346 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.631 -1.538 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.034 -1.968 4.087 1.00 0.00 H new ATOM 891 N LYS A 53 93.404 -2.903 9.391 1.00 0.00 N ATOM 892 CA LYS A 53 94.125 -3.952 10.175 1.00 0.00 C ATOM 893 C LYS A 53 93.696 -5.343 9.687 1.00 0.00 C ATOM 894 O LYS A 53 94.513 -6.220 9.491 1.00 0.00 O ATOM 895 CB LYS A 53 93.778 -3.791 11.660 1.00 0.00 C ATOM 896 CG LYS A 53 94.317 -4.981 12.457 1.00 0.00 C ATOM 897 CD LYS A 53 94.239 -4.670 13.953 1.00 0.00 C ATOM 898 CE LYS A 53 94.696 -5.892 14.753 1.00 0.00 C ATOM 899 NZ LYS A 53 94.829 -5.523 16.190 1.00 0.00 N ATOM 0 H LYS A 53 92.492 -2.638 9.764 1.00 0.00 H new ATOM 0 HA LYS A 53 95.201 -3.844 10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 53 94.204 -2.864 12.043 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.697 -3.720 11.784 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.738 -5.876 12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 53 95.348 -5.187 12.171 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.867 -3.811 14.190 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.218 -4.404 14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.977 -6.704 14.640 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.650 -6.255 14.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.140 -6.353 16.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.530 -4.762 16.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 93.910 -5.196 16.551 1.00 0.00 H new ATOM 913 N ARG A 54 92.419 -5.550 9.491 1.00 0.00 N ATOM 914 CA ARG A 54 91.933 -6.882 9.018 1.00 0.00 C ATOM 915 C ARG A 54 90.640 -6.697 8.218 1.00 0.00 C ATOM 916 O ARG A 54 90.080 -5.621 8.152 1.00 0.00 O ATOM 917 CB ARG A 54 91.670 -7.806 10.240 1.00 0.00 C ATOM 918 CG ARG A 54 90.182 -7.762 10.668 1.00 0.00 C ATOM 919 CD ARG A 54 89.982 -8.409 12.050 1.00 0.00 C ATOM 920 NE ARG A 54 89.945 -7.339 13.090 1.00 0.00 N ATOM 921 CZ ARG A 54 89.546 -7.621 14.300 1.00 0.00 C ATOM 922 NH1 ARG A 54 89.193 -8.840 14.603 1.00 0.00 N ATOM 923 NH2 ARG A 54 89.497 -6.683 15.207 1.00 0.00 N ATOM 0 H ARG A 54 91.690 -4.852 9.638 1.00 0.00 H new ATOM 0 HA ARG A 54 92.689 -7.341 8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.949 -8.830 9.991 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.300 -7.498 11.074 1.00 0.00 H new ATOM 0 HG2 ARG A 54 89.839 -6.728 10.694 1.00 0.00 H new ATOM 0 HG3 ARG A 54 89.572 -8.281 9.929 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.055 -8.981 12.066 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.792 -9.108 12.259 1.00 0.00 H new ATOM 0 HE ARG A 54 90.231 -6.389 12.855 1.00 0.00 H new ATOM 0 HH11 ARG A 54 89.229 -9.572 13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.881 -9.060 15.549 1.00 0.00 H new ATOM 0 HH21 ARG A 54 89.771 -5.729 14.970 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.185 -6.904 16.153 1.00 0.00 H new ATOM 937 N TRP A 55 90.144 -7.760 7.653 1.00 0.00 N ATOM 938 CA TRP A 55 88.863 -7.679 6.902 1.00 0.00 C ATOM 939 C TRP A 55 88.250 -9.066 6.806 1.00 0.00 C ATOM 940 O TRP A 55 88.864 -10.052 7.140 1.00 0.00 O ATOM 941 CB TRP A 55 89.087 -7.117 5.497 1.00 0.00 C ATOM 942 CG TRP A 55 90.033 -7.994 4.740 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.723 -9.200 4.209 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.431 -7.751 4.412 1.00 0.00 C ATOM 945 NE1 TRP A 55 90.845 -9.715 3.583 1.00 0.00 N ATOM 946 CE2 TRP A 55 91.922 -8.856 3.679 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.312 -6.689 4.679 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.240 -8.906 3.226 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.640 -6.736 4.225 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.101 -7.843 3.499 1.00 0.00 C ATOM 0 H TRP A 55 90.573 -8.685 7.679 1.00 0.00 H new ATOM 0 HA TRP A 55 88.188 -7.009 7.434 1.00 0.00 H new ATOM 0 HB2 TRP A 55 88.137 -7.051 4.967 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.488 -6.105 5.561 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.758 -9.682 4.265 1.00 0.00 H new ATOM 0 HE1 TRP A 55 90.873 -10.618 3.109 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.966 -5.832 5.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.591 -9.761 2.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.309 -5.915 4.436 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.123 -7.873 3.151 1.00 0.00 H new ATOM 961 N ALA A 56 87.038 -9.147 6.353 1.00 0.00 N ATOM 962 CA ALA A 56 86.374 -10.473 6.217 1.00 0.00 C ATOM 963 C ALA A 56 85.409 -10.399 5.035 1.00 0.00 C ATOM 964 O ALA A 56 84.453 -9.650 5.054 1.00 0.00 O ATOM 965 CB ALA A 56 85.616 -10.805 7.503 1.00 0.00 C ATOM 0 H ALA A 56 86.471 -8.349 6.068 1.00 0.00 H new ATOM 0 HA ALA A 56 87.113 -11.256 6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.132 -11.776 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.314 -10.835 8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.861 -10.041 7.688 1.00 0.00 H new ATOM 971 N ALA A 57 85.658 -11.153 3.996 1.00 0.00 N ATOM 972 CA ALA A 57 84.761 -11.105 2.801 1.00 0.00 C ATOM 973 C ALA A 57 83.772 -12.267 2.847 1.00 0.00 C ATOM 974 O ALA A 57 84.124 -13.407 2.617 1.00 0.00 O ATOM 975 CB ALA A 57 85.606 -11.214 1.533 1.00 0.00 C ATOM 0 H ALA A 57 86.443 -11.800 3.922 1.00 0.00 H new ATOM 0 HA ALA A 57 84.211 -10.164 2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 57 84.956 -11.179 0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.312 -10.384 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.154 -12.156 1.541 1.00 0.00 H new ATOM 981 N SER A 58 82.528 -11.982 3.129 1.00 0.00 N ATOM 982 CA SER A 58 81.507 -13.059 3.176 1.00 0.00 C ATOM 983 C SER A 58 80.964 -13.266 1.751 1.00 0.00 C ATOM 984 O SER A 58 81.126 -12.403 0.911 1.00 0.00 O ATOM 985 CB SER A 58 80.374 -12.640 4.133 1.00 0.00 C ATOM 986 OG SER A 58 80.445 -13.433 5.312 1.00 0.00 O ATOM 0 H SER A 58 82.178 -11.045 3.329 1.00 0.00 H new ATOM 0 HA SER A 58 81.940 -13.991 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.465 -11.583 4.384 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.406 -12.770 3.650 1.00 0.00 H new ATOM 0 HG SER A 58 79.728 -13.171 5.926 1.00 0.00 H new ATOM 992 N PRO A 59 80.333 -14.391 1.511 1.00 0.00 N ATOM 993 CA PRO A 59 79.769 -14.683 0.181 1.00 0.00 C ATOM 994 C PRO A 59 78.716 -13.626 -0.185 1.00 0.00 C ATOM 995 O PRO A 59 78.069 -13.717 -1.209 1.00 0.00 O ATOM 996 CB PRO A 59 79.126 -16.083 0.329 1.00 0.00 C ATOM 997 CG PRO A 59 79.163 -16.444 1.840 1.00 0.00 C ATOM 998 CD PRO A 59 80.124 -15.453 2.520 1.00 0.00 C ATOM 0 HA PRO A 59 80.518 -14.664 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.101 -16.077 -0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.672 -16.822 -0.257 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.167 -16.375 2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.503 -17.470 1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.695 -15.050 3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.064 -15.934 2.791 1.00 0.00 H new ATOM 1006 N LYS A 60 78.517 -12.639 0.653 1.00 0.00 N ATOM 1007 CA LYS A 60 77.482 -11.608 0.350 1.00 0.00 C ATOM 1008 C LYS A 60 77.832 -10.266 0.995 1.00 0.00 C ATOM 1009 O LYS A 60 77.260 -9.249 0.656 1.00 0.00 O ATOM 1010 CB LYS A 60 76.153 -12.087 0.922 1.00 0.00 C ATOM 1011 CG LYS A 60 76.285 -12.284 2.439 1.00 0.00 C ATOM 1012 CD LYS A 60 75.198 -13.240 2.933 1.00 0.00 C ATOM 1013 CE LYS A 60 75.065 -13.128 4.454 1.00 0.00 C ATOM 1014 NZ LYS A 60 74.282 -14.285 4.971 1.00 0.00 N ATOM 0 H LYS A 60 79.024 -12.504 1.528 1.00 0.00 H new ATOM 0 HA LYS A 60 77.427 -11.470 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.370 -11.360 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.858 -13.023 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.270 -12.684 2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.198 -11.324 2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 60 74.247 -13.002 2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 60 75.447 -14.264 2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 60 76.052 -13.108 4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 60 74.571 -12.193 4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 74.192 -14.209 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 73.336 -14.284 4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 74.771 -15.171 4.731 1.00 0.00 H new ATOM 1028 N SER A 61 78.740 -10.252 1.935 1.00 0.00 N ATOM 1029 CA SER A 61 79.098 -8.962 2.621 1.00 0.00 C ATOM 1030 C SER A 61 80.615 -8.795 2.744 1.00 0.00 C ATOM 1031 O SER A 61 81.384 -9.710 2.524 1.00 0.00 O ATOM 1032 CB SER A 61 78.487 -8.958 4.021 1.00 0.00 C ATOM 1033 OG SER A 61 77.081 -9.136 3.922 1.00 0.00 O ATOM 0 H SER A 61 79.251 -11.072 2.261 1.00 0.00 H new ATOM 0 HA SER A 61 78.708 -8.138 2.023 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.924 -9.755 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.711 -8.018 4.525 1.00 0.00 H new ATOM 0 HG SER A 61 76.687 -9.135 4.819 1.00 0.00 H new ATOM 1039 N PHE A 62 81.035 -7.608 3.108 1.00 0.00 N ATOM 1040 CA PHE A 62 82.491 -7.305 3.274 1.00 0.00 C ATOM 1041 C PHE A 62 82.672 -6.495 4.562 1.00 0.00 C ATOM 1042 O PHE A 62 81.862 -5.647 4.880 1.00 0.00 O ATOM 1043 CB PHE A 62 82.985 -6.482 2.084 1.00 0.00 C ATOM 1044 CG PHE A 62 84.433 -6.102 2.299 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.423 -7.092 2.293 1.00 0.00 C ATOM 1046 CD2 PHE A 62 84.787 -4.761 2.507 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.764 -6.743 2.495 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.128 -4.415 2.709 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.116 -5.405 2.702 1.00 0.00 C ATOM 0 H PHE A 62 80.417 -6.820 3.301 1.00 0.00 H new ATOM 0 HA PHE A 62 83.061 -8.232 3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.882 -7.056 1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.376 -5.585 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.152 -8.125 2.133 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.025 -3.996 2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.527 -7.507 2.491 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.400 -3.382 2.870 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.151 -5.136 2.856 1.00 0.00 H new ATOM 1059 N THR A 63 83.713 -6.756 5.316 1.00 0.00 N ATOM 1060 CA THR A 63 83.929 -6.006 6.599 1.00 0.00 C ATOM 1061 C THR A 63 85.398 -5.596 6.721 1.00 0.00 C ATOM 1062 O THR A 63 86.288 -6.302 6.294 1.00 0.00 O ATOM 1063 CB THR A 63 83.548 -6.921 7.775 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.135 -7.054 7.827 1.00 0.00 O ATOM 1065 CG2 THR A 63 84.051 -6.336 9.102 1.00 0.00 C ATOM 0 H THR A 63 84.424 -7.455 5.100 1.00 0.00 H new ATOM 0 HA THR A 63 83.311 -5.108 6.610 1.00 0.00 H new ATOM 0 HB THR A 63 84.012 -7.896 7.624 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.741 -6.674 7.014 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.771 -6.999 9.921 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.136 -6.239 9.069 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.603 -5.355 9.260 1.00 0.00 H new ATOM 1073 N LEU A 64 85.656 -4.460 7.322 1.00 0.00 N ATOM 1074 CA LEU A 64 87.067 -4.000 7.503 1.00 0.00 C ATOM 1075 C LEU A 64 87.189 -3.283 8.842 1.00 0.00 C ATOM 1076 O LEU A 64 86.229 -2.748 9.361 1.00 0.00 O ATOM 1077 CB LEU A 64 87.481 -3.062 6.360 1.00 0.00 C ATOM 1078 CG LEU A 64 86.590 -1.791 6.338 1.00 0.00 C ATOM 1079 CD1 LEU A 64 87.314 -0.615 7.015 1.00 0.00 C ATOM 1080 CD2 LEU A 64 86.261 -1.405 4.883 1.00 0.00 C ATOM 0 H LEU A 64 84.947 -3.830 7.696 1.00 0.00 H new ATOM 0 HA LEU A 64 87.731 -4.864 7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.526 -2.777 6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.400 -3.585 5.407 1.00 0.00 H new ATOM 0 HG LEU A 64 85.670 -2.008 6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 64 86.675 0.268 6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.538 -0.873 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 64 88.243 -0.406 6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 64 85.636 -0.512 4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 64 87.186 -1.204 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.729 -2.225 4.401 1.00 0.00 H new ATOM 1092 N ASP A 65 88.366 -3.281 9.410 1.00 0.00 N ATOM 1093 CA ASP A 65 88.579 -2.613 10.733 1.00 0.00 C ATOM 1094 C ASP A 65 89.796 -1.689 10.650 1.00 0.00 C ATOM 1095 O ASP A 65 90.859 -2.080 10.211 1.00 0.00 O ATOM 1096 CB ASP A 65 88.810 -3.684 11.811 1.00 0.00 C ATOM 1097 CG ASP A 65 90.178 -4.331 11.620 1.00 0.00 C ATOM 1098 OD1 ASP A 65 90.618 -4.401 10.489 1.00 0.00 O ATOM 1099 OD2 ASP A 65 90.759 -4.749 12.608 1.00 0.00 O ATOM 0 H ASP A 65 89.198 -3.717 9.012 1.00 0.00 H new ATOM 0 HA ASP A 65 87.700 -2.023 10.992 1.00 0.00 H new ATOM 0 HB2 ASP A 65 88.747 -3.234 12.802 1.00 0.00 H new ATOM 0 HB3 ASP A 65 88.029 -4.442 11.755 1.00 0.00 H new ATOM 1104 N PHE A 66 89.650 -0.467 11.079 1.00 0.00 N ATOM 1105 CA PHE A 66 90.797 0.484 11.041 1.00 0.00 C ATOM 1106 C PHE A 66 91.538 0.395 12.371 1.00 0.00 C ATOM 1107 O PHE A 66 92.485 1.114 12.622 1.00 0.00 O ATOM 1108 CB PHE A 66 90.270 1.907 10.852 1.00 0.00 C ATOM 1109 CG PHE A 66 89.613 2.029 9.495 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.380 1.887 8.332 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.237 2.286 9.397 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.774 2.000 7.075 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.633 2.398 8.140 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.402 2.256 6.978 1.00 0.00 C ATOM 0 H PHE A 66 88.783 -0.084 11.456 1.00 0.00 H new ATOM 0 HA PHE A 66 91.466 0.235 10.217 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.553 2.147 11.637 1.00 0.00 H new ATOM 0 HB3 PHE A 66 91.088 2.623 10.937 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.439 1.690 8.405 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.644 2.397 10.293 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.367 1.889 6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.574 2.594 8.066 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.936 2.344 6.008 1.00 0.00 H new ATOM 1124 N GLY A 67 91.098 -0.480 13.229 1.00 0.00 N ATOM 1125 CA GLY A 67 91.755 -0.623 14.557 1.00 0.00 C ATOM 1126 C GLY A 67 91.317 0.534 15.451 1.00 0.00 C ATOM 1127 O GLY A 67 91.625 0.578 16.626 1.00 0.00 O ATOM 0 H GLY A 67 90.308 -1.105 13.067 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.483 -1.575 15.012 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.839 -0.623 14.444 1.00 0.00 H new ATOM 1131 N ASP A 68 90.599 1.477 14.900 1.00 0.00 N ATOM 1132 CA ASP A 68 90.137 2.640 15.708 1.00 0.00 C ATOM 1133 C ASP A 68 88.809 2.301 16.390 1.00 0.00 C ATOM 1134 O ASP A 68 87.747 2.488 15.829 1.00 0.00 O ATOM 1135 CB ASP A 68 89.951 3.849 14.791 1.00 0.00 C ATOM 1136 CG ASP A 68 91.100 3.909 13.782 1.00 0.00 C ATOM 1137 OD1 ASP A 68 92.172 3.427 14.106 1.00 0.00 O ATOM 1138 OD2 ASP A 68 90.887 4.438 12.703 1.00 0.00 O ATOM 0 H ASP A 68 90.312 1.490 13.921 1.00 0.00 H new ATOM 0 HA ASP A 68 90.880 2.871 16.471 1.00 0.00 H new ATOM 0 HB2 ASP A 68 88.997 3.778 14.268 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.923 4.765 15.381 1.00 0.00 H new ATOM 1143 N TYR A 69 88.860 1.807 17.597 1.00 0.00 N ATOM 1144 CA TYR A 69 87.606 1.459 18.322 1.00 0.00 C ATOM 1145 C TYR A 69 86.597 2.601 18.180 1.00 0.00 C ATOM 1146 O TYR A 69 85.436 2.389 17.890 1.00 0.00 O ATOM 1147 CB TYR A 69 87.927 1.244 19.802 1.00 0.00 C ATOM 1148 CG TYR A 69 86.647 1.015 20.568 1.00 0.00 C ATOM 1149 CD1 TYR A 69 86.029 -0.238 20.529 1.00 0.00 C ATOM 1150 CD2 TYR A 69 86.080 2.055 21.315 1.00 0.00 C ATOM 1151 CE1 TYR A 69 84.842 -0.455 21.237 1.00 0.00 C ATOM 1152 CE2 TYR A 69 84.892 1.839 22.024 1.00 0.00 C ATOM 1153 CZ TYR A 69 84.273 0.583 21.985 1.00 0.00 C ATOM 1154 OH TYR A 69 83.102 0.369 22.684 1.00 0.00 O ATOM 0 H TYR A 69 89.721 1.629 18.114 1.00 0.00 H new ATOM 0 HA TYR A 69 87.180 0.548 17.901 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.592 0.388 19.920 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.451 2.112 20.201 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.468 -1.039 19.952 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.559 3.023 21.344 1.00 0.00 H new ATOM 0 HE1 TYR A 69 84.364 -1.423 21.207 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.453 2.640 22.600 1.00 0.00 H new ATOM 0 HH TYR A 69 82.844 1.192 23.150 1.00 0.00 H new ATOM 1164 N GLN A 70 87.037 3.808 18.386 1.00 0.00 N ATOM 1165 CA GLN A 70 86.116 4.974 18.270 1.00 0.00 C ATOM 1166 C GLN A 70 85.377 4.923 16.932 1.00 0.00 C ATOM 1167 O GLN A 70 84.166 5.005 16.876 1.00 0.00 O ATOM 1168 CB GLN A 70 86.923 6.275 18.358 1.00 0.00 C ATOM 1169 CG GLN A 70 88.011 6.303 17.279 1.00 0.00 C ATOM 1170 CD GLN A 70 89.103 7.307 17.664 1.00 0.00 C ATOM 1171 OE1 GLN A 70 89.512 8.115 16.855 1.00 0.00 O ATOM 1172 NE2 GLN A 70 89.594 7.288 18.873 1.00 0.00 N ATOM 0 H GLN A 70 87.999 4.040 18.631 1.00 0.00 H new ATOM 0 HA GLN A 70 85.390 4.938 19.082 1.00 0.00 H new ATOM 0 HB2 GLN A 70 86.259 7.131 18.236 1.00 0.00 H new ATOM 0 HB3 GLN A 70 87.378 6.362 19.345 1.00 0.00 H new ATOM 0 HG2 GLN A 70 88.444 5.310 17.161 1.00 0.00 H new ATOM 0 HG3 GLN A 70 87.575 6.577 16.318 1.00 0.00 H new ATOM 0 HE21 GLN A 70 89.250 6.609 19.552 1.00 0.00 H new ATOM 0 HE22 GLN A 70 90.321 7.952 19.139 1.00 0.00 H new ATOM 1181 N ASP A 71 86.097 4.796 15.854 1.00 0.00 N ATOM 1182 CA ASP A 71 85.442 4.748 14.522 1.00 0.00 C ATOM 1183 C ASP A 71 84.523 3.529 14.453 1.00 0.00 C ATOM 1184 O ASP A 71 83.472 3.561 13.845 1.00 0.00 O ATOM 1185 CB ASP A 71 86.518 4.649 13.441 1.00 0.00 C ATOM 1186 CG ASP A 71 85.942 5.072 12.088 1.00 0.00 C ATOM 1187 OD1 ASP A 71 85.182 4.303 11.523 1.00 0.00 O ATOM 1188 OD2 ASP A 71 86.272 6.158 11.639 1.00 0.00 O ATOM 0 H ASP A 71 87.114 4.723 15.840 1.00 0.00 H new ATOM 0 HA ASP A 71 84.851 5.650 14.365 1.00 0.00 H new ATOM 0 HB2 ASP A 71 87.365 5.285 13.700 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.893 3.627 13.382 1.00 0.00 H new ATOM 1193 N GLY A 72 84.918 2.454 15.074 1.00 0.00 N ATOM 1194 CA GLY A 72 84.077 1.225 15.052 1.00 0.00 C ATOM 1195 C GLY A 72 84.333 0.455 13.756 1.00 0.00 C ATOM 1196 O GLY A 72 85.081 0.889 12.902 1.00 0.00 O ATOM 0 H GLY A 72 85.790 2.373 15.598 1.00 0.00 H new ATOM 0 HA2 GLY A 72 84.309 0.597 15.912 1.00 0.00 H new ATOM 0 HA3 GLY A 72 83.023 1.492 15.127 1.00 0.00 H new ATOM 1200 N TYR A 73 83.722 -0.686 13.602 1.00 0.00 N ATOM 1201 CA TYR A 73 83.937 -1.482 12.363 1.00 0.00 C ATOM 1202 C TYR A 73 83.130 -0.877 11.213 1.00 0.00 C ATOM 1203 O TYR A 73 82.179 -0.149 11.420 1.00 0.00 O ATOM 1204 CB TYR A 73 83.483 -2.924 12.595 1.00 0.00 C ATOM 1205 CG TYR A 73 84.321 -3.548 13.685 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.685 -3.756 13.473 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.736 -3.922 14.901 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.471 -4.338 14.475 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.521 -4.502 15.905 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.889 -4.711 15.692 1.00 0.00 C ATOM 1211 OH TYR A 73 86.662 -5.284 16.680 1.00 0.00 O ATOM 0 H TYR A 73 83.083 -1.101 14.280 1.00 0.00 H new ATOM 0 HA TYR A 73 84.997 -1.468 12.109 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.430 -2.944 12.875 1.00 0.00 H new ATOM 0 HB3 TYR A 73 83.579 -3.499 11.674 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.135 -3.468 12.534 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.680 -3.763 15.064 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.526 -4.499 14.309 1.00 0.00 H new ATOM 0 HE2 TYR A 73 84.071 -4.788 16.844 1.00 0.00 H new ATOM 0 HH TYR A 73 86.102 -5.481 17.460 1.00 0.00 H new ATOM 1221 N TYR A 74 83.505 -1.186 9.998 1.00 0.00 N ATOM 1222 CA TYR A 74 82.781 -0.657 8.804 1.00 0.00 C ATOM 1223 C TYR A 74 82.512 -1.815 7.848 1.00 0.00 C ATOM 1224 O TYR A 74 83.411 -2.331 7.219 1.00 0.00 O ATOM 1225 CB TYR A 74 83.651 0.381 8.098 1.00 0.00 C ATOM 1226 CG TYR A 74 82.885 0.997 6.948 1.00 0.00 C ATOM 1227 CD1 TYR A 74 82.018 2.072 7.177 1.00 0.00 C ATOM 1228 CD2 TYR A 74 83.049 0.495 5.651 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.315 2.644 6.109 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.346 1.067 4.584 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.480 2.141 4.813 1.00 0.00 C ATOM 1232 OH TYR A 74 80.788 2.706 3.761 1.00 0.00 O ATOM 0 H TYR A 74 84.296 -1.793 9.780 1.00 0.00 H new ATOM 0 HA TYR A 74 81.844 -0.194 9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.952 1.156 8.803 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.564 -0.087 7.729 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.891 2.460 8.177 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.718 -0.334 5.474 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.646 3.473 6.285 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.472 0.679 3.584 1.00 0.00 H new ATOM 0 HH TYR A 74 79.846 2.439 3.808 1.00 0.00 H new ATOM 1242 N SER A 75 81.284 -2.232 7.741 1.00 0.00 N ATOM 1243 CA SER A 75 80.942 -3.367 6.830 1.00 0.00 C ATOM 1244 C SER A 75 79.698 -3.029 6.013 1.00 0.00 C ATOM 1245 O SER A 75 78.839 -2.281 6.437 1.00 0.00 O ATOM 1246 CB SER A 75 80.676 -4.619 7.664 1.00 0.00 C ATOM 1247 OG SER A 75 80.477 -5.727 6.796 1.00 0.00 O ATOM 0 H SER A 75 80.493 -1.835 8.248 1.00 0.00 H new ATOM 0 HA SER A 75 81.776 -3.544 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 75 81.516 -4.811 8.331 1.00 0.00 H new ATOM 0 HB3 SER A 75 79.797 -4.472 8.292 1.00 0.00 H new ATOM 0 HG SER A 75 80.921 -5.555 5.939 1.00 0.00 H new ATOM 1253 N VAL A 76 79.603 -3.585 4.836 1.00 0.00 N ATOM 1254 CA VAL A 76 78.423 -3.322 3.959 1.00 0.00 C ATOM 1255 C VAL A 76 78.104 -4.589 3.169 1.00 0.00 C ATOM 1256 O VAL A 76 78.850 -5.548 3.189 1.00 0.00 O ATOM 1257 CB VAL A 76 78.745 -2.184 2.984 1.00 0.00 C ATOM 1258 CG1 VAL A 76 78.966 -0.886 3.762 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.014 -2.527 2.201 1.00 0.00 C ATOM 0 H VAL A 76 80.299 -4.217 4.439 1.00 0.00 H new ATOM 0 HA VAL A 76 77.567 -3.037 4.571 1.00 0.00 H new ATOM 0 HB VAL A 76 77.912 -2.055 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.195 -0.079 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.063 -0.638 4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.798 -1.014 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.243 -1.718 1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.845 -2.657 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.859 -3.450 1.643 1.00 0.00 H new ATOM 1269 N GLN A 77 77.003 -4.607 2.474 1.00 0.00 N ATOM 1270 CA GLN A 77 76.644 -5.813 1.689 1.00 0.00 C ATOM 1271 C GLN A 77 77.459 -5.834 0.395 1.00 0.00 C ATOM 1272 O GLN A 77 77.634 -4.824 -0.254 1.00 0.00 O ATOM 1273 CB GLN A 77 75.152 -5.762 1.357 1.00 0.00 C ATOM 1274 CG GLN A 77 74.336 -6.167 2.586 1.00 0.00 C ATOM 1275 CD GLN A 77 72.853 -6.229 2.217 1.00 0.00 C ATOM 1276 OE1 GLN A 77 72.269 -5.236 1.830 1.00 0.00 O ATOM 1277 NE2 GLN A 77 72.214 -7.362 2.320 1.00 0.00 N ATOM 0 H GLN A 77 76.337 -3.837 2.417 1.00 0.00 H new ATOM 0 HA GLN A 77 76.861 -6.712 2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.874 -4.757 1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.932 -6.431 0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.671 -7.137 2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 77 74.491 -5.449 3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 77 72.703 -8.196 2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 77 71.225 -7.414 2.076 1.00 0.00 H new ATOM 1286 N THR A 78 77.957 -6.982 0.016 1.00 0.00 N ATOM 1287 CA THR A 78 78.764 -7.079 -1.233 1.00 0.00 C ATOM 1288 C THR A 78 78.595 -8.468 -1.835 1.00 0.00 C ATOM 1289 O THR A 78 78.939 -9.466 -1.234 1.00 0.00 O ATOM 1290 CB THR A 78 80.243 -6.860 -0.920 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.714 -7.924 -0.105 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.429 -5.533 -0.185 1.00 0.00 C ATOM 0 H THR A 78 77.838 -7.860 0.521 1.00 0.00 H new ATOM 0 HA THR A 78 78.422 -6.318 -1.934 1.00 0.00 H new ATOM 0 HB THR A 78 80.808 -6.834 -1.852 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.072 -8.664 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.486 -5.384 0.035 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.070 -4.717 -0.812 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.864 -5.551 0.747 1.00 0.00 H new ATOM 1300 N THR A 79 78.078 -8.536 -3.020 1.00 0.00 N ATOM 1301 CA THR A 79 77.893 -9.856 -3.674 1.00 0.00 C ATOM 1302 C THR A 79 79.263 -10.467 -3.956 1.00 0.00 C ATOM 1303 O THR A 79 79.403 -11.665 -4.098 1.00 0.00 O ATOM 1304 CB THR A 79 77.145 -9.662 -4.991 1.00 0.00 C ATOM 1305 OG1 THR A 79 75.907 -9.012 -4.741 1.00 0.00 O ATOM 1306 CG2 THR A 79 76.890 -11.021 -5.641 1.00 0.00 C ATOM 0 H THR A 79 77.773 -7.732 -3.569 1.00 0.00 H new ATOM 0 HA THR A 79 77.321 -10.517 -3.023 1.00 0.00 H new ATOM 0 HB THR A 79 77.746 -9.049 -5.663 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.427 -8.886 -5.586 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.356 -10.880 -6.581 1.00 0.00 H new ATOM 0 HG22 THR A 79 77.842 -11.516 -5.835 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.290 -11.638 -4.972 1.00 0.00 H new ATOM 1314 N GLU A 80 80.276 -9.641 -4.045 1.00 0.00 N ATOM 1315 CA GLU A 80 81.655 -10.145 -4.327 1.00 0.00 C ATOM 1316 C GLU A 80 82.639 -9.563 -3.317 1.00 0.00 C ATOM 1317 O GLU A 80 83.735 -9.165 -3.660 1.00 0.00 O ATOM 1318 CB GLU A 80 82.065 -9.714 -5.730 1.00 0.00 C ATOM 1319 CG GLU A 80 81.124 -10.353 -6.749 1.00 0.00 C ATOM 1320 CD GLU A 80 81.421 -11.850 -6.855 1.00 0.00 C ATOM 1321 OE1 GLU A 80 82.435 -12.271 -6.323 1.00 0.00 O ATOM 1322 OE2 GLU A 80 80.628 -12.549 -7.464 1.00 0.00 O ATOM 0 H GLU A 80 80.205 -8.630 -3.933 1.00 0.00 H new ATOM 0 HA GLU A 80 81.664 -11.232 -4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.028 -8.628 -5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.094 -10.014 -5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 80 80.088 -10.198 -6.449 1.00 0.00 H new ATOM 0 HG3 GLU A 80 81.249 -9.878 -7.722 1.00 0.00 H new ATOM 1329 N GLY A 81 82.263 -9.521 -2.074 1.00 0.00 N ATOM 1330 CA GLY A 81 83.184 -8.975 -1.037 1.00 0.00 C ATOM 1331 C GLY A 81 84.551 -9.649 -1.175 1.00 0.00 C ATOM 1332 O GLY A 81 85.540 -9.189 -0.638 1.00 0.00 O ATOM 0 H GLY A 81 81.358 -9.840 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.284 -7.896 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.776 -9.152 -0.042 1.00 0.00 H new ATOM 1336 N GLU A 82 84.612 -10.735 -1.897 1.00 0.00 N ATOM 1337 CA GLU A 82 85.909 -11.446 -2.082 1.00 0.00 C ATOM 1338 C GLU A 82 86.795 -10.634 -3.026 1.00 0.00 C ATOM 1339 O GLU A 82 87.892 -10.240 -2.686 1.00 0.00 O ATOM 1340 CB GLU A 82 85.632 -12.831 -2.683 1.00 0.00 C ATOM 1341 CG GLU A 82 86.919 -13.426 -3.253 1.00 0.00 C ATOM 1342 CD GLU A 82 86.755 -14.935 -3.449 1.00 0.00 C ATOM 1343 OE1 GLU A 82 87.023 -15.667 -2.510 1.00 0.00 O ATOM 1344 OE2 GLU A 82 86.364 -15.334 -4.534 1.00 0.00 O ATOM 0 H GLU A 82 83.815 -11.162 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 82 86.418 -11.561 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.224 -13.492 -1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.881 -12.751 -3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.159 -12.951 -4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.752 -13.227 -2.578 1.00 0.00 H new ATOM 1351 N GLN A 83 86.322 -10.378 -4.208 1.00 0.00 N ATOM 1352 CA GLN A 83 87.130 -9.586 -5.176 1.00 0.00 C ATOM 1353 C GLN A 83 87.565 -8.302 -4.493 1.00 0.00 C ATOM 1354 O GLN A 83 88.704 -7.886 -4.576 1.00 0.00 O ATOM 1355 CB GLN A 83 86.291 -9.242 -6.406 1.00 0.00 C ATOM 1356 CG GLN A 83 85.642 -10.501 -6.971 1.00 0.00 C ATOM 1357 CD GLN A 83 84.607 -10.113 -8.024 1.00 0.00 C ATOM 1358 OE1 GLN A 83 83.523 -10.825 -8.137 1.00 0.00 O flip ATOM 1359 NE2 GLN A 83 84.786 -9.155 -8.750 1.00 0.00 N flip ATOM 0 H GLN A 83 85.410 -10.682 -4.549 1.00 0.00 H new ATOM 0 HA GLN A 83 87.996 -10.166 -5.494 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.522 -8.516 -6.139 1.00 0.00 H new ATOM 0 HB3 GLN A 83 86.920 -8.776 -7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.401 -11.147 -7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.167 -11.068 -6.171 1.00 0.00 H new ATOM 0 HE21 GLN A 83 85.636 -8.598 -8.660 1.00 0.00 H new ATOM 0 HE22 GLN A 83 84.086 -8.907 -9.450 1.00 0.00 H new ATOM 1368 N ILE A 84 86.662 -7.687 -3.798 1.00 0.00 N ATOM 1369 CA ILE A 84 87.007 -6.439 -3.077 1.00 0.00 C ATOM 1370 C ILE A 84 88.163 -6.748 -2.128 1.00 0.00 C ATOM 1371 O ILE A 84 89.016 -5.921 -1.873 1.00 0.00 O ATOM 1372 CB ILE A 84 85.793 -5.962 -2.282 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.575 -5.888 -3.212 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.078 -4.580 -1.694 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.391 -5.255 -2.476 1.00 0.00 C ATOM 0 H ILE A 84 85.695 -7.995 -3.697 1.00 0.00 H new ATOM 0 HA ILE A 84 87.296 -5.656 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 84 85.588 -6.661 -1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 84 84.819 -5.301 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.308 -6.888 -3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.211 -4.240 -1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 84 86.944 -4.637 -1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.282 -3.876 -2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.531 -5.207 -3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.140 -5.859 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.658 -4.248 -2.155 1.00 0.00 H new ATOM 1387 N ALA A 85 88.202 -7.951 -1.617 1.00 0.00 N ATOM 1388 CA ALA A 85 89.307 -8.342 -0.697 1.00 0.00 C ATOM 1389 C ALA A 85 90.507 -8.790 -1.529 1.00 0.00 C ATOM 1390 O ALA A 85 91.635 -8.751 -1.082 1.00 0.00 O ATOM 1391 CB ALA A 85 88.847 -9.492 0.201 1.00 0.00 C ATOM 0 H ALA A 85 87.513 -8.681 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 85 89.585 -7.493 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.657 -9.776 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 85 87.985 -9.174 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.571 -10.347 -0.416 1.00 0.00 H new ATOM 1397 N GLN A 86 90.271 -9.210 -2.743 1.00 0.00 N ATOM 1398 CA GLN A 86 91.396 -9.655 -3.609 1.00 0.00 C ATOM 1399 C GLN A 86 92.038 -8.431 -4.249 1.00 0.00 C ATOM 1400 O GLN A 86 93.242 -8.337 -4.381 1.00 0.00 O ATOM 1401 CB GLN A 86 90.859 -10.576 -4.699 1.00 0.00 C ATOM 1402 CG GLN A 86 92.018 -11.300 -5.378 1.00 0.00 C ATOM 1403 CD GLN A 86 91.549 -11.903 -6.699 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.447 -11.649 -7.143 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.349 -12.696 -7.353 1.00 0.00 N ATOM 0 H GLN A 86 89.347 -9.263 -3.171 1.00 0.00 H new ATOM 0 HA GLN A 86 92.135 -10.192 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.167 -11.300 -4.268 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.298 -9.998 -5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 86 92.838 -10.605 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.401 -12.085 -4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.274 -12.909 -6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.050 -13.104 -8.239 1.00 0.00 H new ATOM 1414 N LEU A 87 91.235 -7.485 -4.635 1.00 0.00 N ATOM 1415 CA LEU A 87 91.779 -6.253 -5.254 1.00 0.00 C ATOM 1416 C LEU A 87 92.497 -5.465 -4.169 1.00 0.00 C ATOM 1417 O LEU A 87 93.553 -4.901 -4.377 1.00 0.00 O ATOM 1418 CB LEU A 87 90.624 -5.424 -5.823 1.00 0.00 C ATOM 1419 CG LEU A 87 91.143 -4.081 -6.353 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.270 -4.314 -7.373 1.00 0.00 C ATOM 1421 CD2 LEU A 87 89.986 -3.332 -7.024 1.00 0.00 C ATOM 0 H LEU A 87 90.219 -7.513 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 87 92.470 -6.496 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.133 -5.974 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 87 89.875 -5.253 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 87 91.538 -3.491 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.631 -3.354 -7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.090 -4.849 -6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 87 91.890 -4.904 -8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.344 -2.375 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.597 -3.928 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.194 -3.159 -6.296 1.00 0.00 H new ATOM 1433 N ILE A 88 91.925 -5.444 -3.004 1.00 0.00 N ATOM 1434 CA ILE A 88 92.550 -4.719 -1.871 1.00 0.00 C ATOM 1435 C ILE A 88 93.776 -5.508 -1.411 1.00 0.00 C ATOM 1436 O ILE A 88 94.855 -4.972 -1.258 1.00 0.00 O ATOM 1437 CB ILE A 88 91.529 -4.615 -0.730 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.494 -3.542 -1.083 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.236 -4.238 0.580 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.347 -3.569 -0.073 1.00 0.00 C ATOM 0 H ILE A 88 91.041 -5.903 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 88 92.855 -3.716 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 88 91.035 -5.578 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.964 -2.559 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.109 -3.714 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.502 -4.167 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 88 92.973 -5.002 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.736 -3.277 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.616 -2.803 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 88 88.869 -4.548 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 88 89.737 -3.375 0.926 1.00 0.00 H new ATOM 1452 N ALA A 89 93.612 -6.782 -1.199 1.00 0.00 N ATOM 1453 CA ALA A 89 94.760 -7.620 -0.757 1.00 0.00 C ATOM 1454 C ALA A 89 95.881 -7.508 -1.787 1.00 0.00 C ATOM 1455 O ALA A 89 97.020 -7.838 -1.523 1.00 0.00 O ATOM 1456 CB ALA A 89 94.314 -9.079 -0.648 1.00 0.00 C ATOM 0 H ALA A 89 92.730 -7.281 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 89 95.115 -7.277 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.154 -9.693 -0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.505 -9.159 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 89 93.964 -9.426 -1.620 1.00 0.00 H new ATOM 1462 N GLY A 90 95.561 -7.052 -2.969 1.00 0.00 N ATOM 1463 CA GLY A 90 96.597 -6.924 -4.035 1.00 0.00 C ATOM 1464 C GLY A 90 97.232 -5.532 -3.993 1.00 0.00 C ATOM 1465 O GLY A 90 98.349 -5.343 -4.427 1.00 0.00 O ATOM 0 H GLY A 90 94.622 -6.761 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.365 -7.686 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.146 -7.096 -5.012 1.00 0.00 H new ATOM 1469 N TYR A 91 96.535 -4.551 -3.481 1.00 0.00 N ATOM 1470 CA TYR A 91 97.119 -3.177 -3.427 1.00 0.00 C ATOM 1471 C TYR A 91 98.007 -3.056 -2.186 1.00 0.00 C ATOM 1472 O TYR A 91 98.941 -2.279 -2.150 1.00 0.00 O ATOM 1473 CB TYR A 91 95.983 -2.137 -3.340 1.00 0.00 C ATOM 1474 CG TYR A 91 95.495 -1.742 -4.725 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.383 -1.186 -5.662 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.146 -1.912 -5.062 1.00 0.00 C ATOM 1477 CE1 TYR A 91 95.919 -0.811 -6.929 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.686 -1.534 -6.327 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.571 -0.985 -7.261 1.00 0.00 C ATOM 1480 OH TYR A 91 94.114 -0.612 -8.508 1.00 0.00 O ATOM 0 H TYR A 91 95.593 -4.640 -3.100 1.00 0.00 H new ATOM 0 HA TYR A 91 97.710 -2.997 -4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.154 -2.546 -2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.335 -1.253 -2.809 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.423 -1.048 -5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.460 -2.336 -4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.602 -0.387 -7.650 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.645 -1.666 -6.584 1.00 0.00 H new ATOM 0 HH TYR A 91 93.155 -0.801 -8.575 1.00 0.00 H new ATOM 1490 N ILE A 92 97.709 -3.804 -1.167 1.00 0.00 N ATOM 1491 CA ILE A 92 98.516 -3.724 0.079 1.00 0.00 C ATOM 1492 C ILE A 92 99.931 -4.245 -0.176 1.00 0.00 C ATOM 1493 O ILE A 92 100.868 -3.892 0.512 1.00 0.00 O ATOM 1494 CB ILE A 92 97.845 -4.571 1.155 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.461 -3.986 1.453 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.704 -4.557 2.421 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.692 -4.925 2.383 1.00 0.00 C ATOM 0 H ILE A 92 96.938 -4.471 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 92 98.579 -2.686 0.406 1.00 0.00 H new ATOM 0 HB ILE A 92 97.739 -5.600 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.563 -3.004 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 92 95.908 -3.845 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.226 -5.162 3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.689 -4.967 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 92 98.810 -3.532 2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.708 -4.505 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.577 -5.897 1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.242 -5.043 3.317 1.00 0.00 H new ATOM 1509 N ASP A 93 100.091 -5.086 -1.157 1.00 0.00 N ATOM 1510 CA ASP A 93 101.440 -5.642 -1.461 1.00 0.00 C ATOM 1511 C ASP A 93 102.215 -4.674 -2.359 1.00 0.00 C ATOM 1512 O ASP A 93 103.424 -4.737 -2.459 1.00 0.00 O ATOM 1513 CB ASP A 93 101.274 -6.981 -2.181 1.00 0.00 C ATOM 1514 CG ASP A 93 100.830 -8.048 -1.179 1.00 0.00 C ATOM 1515 OD1 ASP A 93 100.486 -7.682 -0.067 1.00 0.00 O ATOM 1516 OD2 ASP A 93 100.841 -9.214 -1.540 1.00 0.00 O ATOM 0 H ASP A 93 99.342 -5.415 -1.766 1.00 0.00 H new ATOM 0 HA ASP A 93 101.992 -5.783 -0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.538 -6.888 -2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.214 -7.274 -2.648 1.00 0.00 H new ATOM 1521 N ILE A 94 101.525 -3.789 -3.026 1.00 0.00 N ATOM 1522 CA ILE A 94 102.214 -2.826 -3.936 1.00 0.00 C ATOM 1523 C ILE A 94 102.670 -1.594 -3.157 1.00 0.00 C ATOM 1524 O ILE A 94 103.593 -0.907 -3.547 1.00 0.00 O ATOM 1525 CB ILE A 94 101.248 -2.400 -5.038 1.00 0.00 C ATOM 1526 CG1 ILE A 94 100.760 -3.647 -5.781 1.00 0.00 C ATOM 1527 CG2 ILE A 94 101.973 -1.468 -6.010 1.00 0.00 C ATOM 1528 CD1 ILE A 94 99.651 -3.268 -6.764 1.00 0.00 C ATOM 0 H ILE A 94 100.511 -3.690 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 94 103.088 -3.310 -4.372 1.00 0.00 H new ATOM 0 HB ILE A 94 100.395 -1.876 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.589 -4.110 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.390 -4.384 -5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.287 -1.161 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.327 -0.587 -5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 94 102.822 -1.991 -6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.309 -4.160 -7.289 1.00 0.00 H new ATOM 0 HD12 ILE A 94 98.817 -2.826 -6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.035 -2.548 -7.486 1.00 0.00 H new ATOM 1540 N ILE A 95 102.031 -1.303 -2.063 1.00 0.00 N ATOM 1541 CA ILE A 95 102.433 -0.109 -1.264 1.00 0.00 C ATOM 1542 C ILE A 95 103.585 -0.484 -0.340 1.00 0.00 C ATOM 1543 O ILE A 95 104.414 0.332 0.011 1.00 0.00 O ATOM 1544 CB ILE A 95 101.254 0.361 -0.416 1.00 0.00 C ATOM 1545 CG1 ILE A 95 100.736 -0.804 0.433 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.136 0.870 -1.327 1.00 0.00 C ATOM 1547 CD1 ILE A 95 99.462 -0.375 1.167 1.00 0.00 C ATOM 0 H ILE A 95 101.248 -1.837 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 95 102.741 0.688 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 95 101.580 1.169 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.530 -1.666 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 95 101.496 -1.111 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.295 1.205 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 95 100.505 1.703 -1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 95 99.809 0.066 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.093 -1.204 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 95 99.683 0.475 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 95 98.702 -0.090 0.440 1.00 0.00 H new ATOM 1559 N LEU A 96 103.621 -1.714 0.072 1.00 0.00 N ATOM 1560 CA LEU A 96 104.692 -2.168 1.001 1.00 0.00 C ATOM 1561 C LEU A 96 105.994 -2.437 0.233 1.00 0.00 C ATOM 1562 O LEU A 96 107.074 -2.317 0.776 1.00 0.00 O ATOM 1563 CB LEU A 96 104.206 -3.454 1.696 1.00 0.00 C ATOM 1564 CG LEU A 96 103.491 -3.107 3.022 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.507 -4.223 3.389 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.528 -2.951 4.145 1.00 0.00 C ATOM 0 H LEU A 96 102.950 -2.434 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 96 104.897 -1.394 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.526 -3.996 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.052 -4.112 1.892 1.00 0.00 H new ATOM 0 HG LEU A 96 102.946 -2.171 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.006 -3.973 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.765 -4.329 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 96 103.049 -5.161 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.020 -2.706 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.078 -3.885 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.223 -2.151 3.890 1.00 0.00 H new ATOM 1681 N TRP B 2 89.278 -15.547 10.076 1.00 0.00 N ATOM 1682 CA TRP B 2 89.434 -14.139 9.609 1.00 0.00 C ATOM 1683 C TRP B 2 90.628 -14.052 8.649 1.00 0.00 C ATOM 1684 O TRP B 2 91.223 -15.045 8.281 1.00 0.00 O ATOM 1685 CB TRP B 2 89.682 -13.224 10.828 1.00 0.00 C ATOM 1686 CG TRP B 2 88.386 -12.717 11.382 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.638 -13.345 12.314 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.689 -11.481 11.061 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.522 -12.572 12.587 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.511 -11.410 11.839 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.966 -10.424 10.178 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.638 -10.325 11.745 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 87.091 -9.331 10.080 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.931 -9.281 10.863 1.00 0.00 C ATOM 0 HA TRP B 2 88.529 -13.819 9.092 1.00 0.00 H new ATOM 0 HB2 TRP B 2 90.222 -13.775 11.598 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.312 -12.384 10.536 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.872 -14.295 12.772 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.797 -12.829 13.257 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.858 -10.453 9.570 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.743 -10.292 12.349 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.313 -8.524 9.397 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.263 -8.436 10.785 1.00 0.00 H new ATOM 1705 N VAL B 3 90.983 -12.858 8.255 1.00 0.00 N ATOM 1706 CA VAL B 3 92.137 -12.664 7.335 1.00 0.00 C ATOM 1707 C VAL B 3 92.791 -11.321 7.667 1.00 0.00 C ATOM 1708 O VAL B 3 92.117 -10.348 7.943 1.00 0.00 O ATOM 1709 CB VAL B 3 91.648 -12.671 5.884 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.450 -11.740 5.752 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.775 -12.196 4.957 1.00 0.00 C ATOM 0 H VAL B 3 90.514 -11.997 8.537 1.00 0.00 H new ATOM 0 HA VAL B 3 92.861 -13.470 7.457 1.00 0.00 H new ATOM 0 HB VAL B 3 91.356 -13.683 5.603 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.099 -11.743 4.720 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.650 -12.082 6.408 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.743 -10.728 6.033 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.424 -12.202 3.925 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.071 -11.184 5.234 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.631 -12.864 5.053 1.00 0.00 H new ATOM 1745 N SER B 5 96.604 -8.651 7.062 1.00 0.00 N ATOM 1746 CA SER B 5 97.516 -8.175 5.977 1.00 0.00 C ATOM 1747 C SER B 5 98.921 -7.976 6.576 1.00 0.00 C ATOM 1748 O SER B 5 99.057 -7.902 7.781 1.00 0.00 O ATOM 1749 CB SER B 5 96.979 -6.840 5.425 1.00 0.00 C ATOM 1750 OG SER B 5 97.892 -5.790 5.720 1.00 0.00 O ATOM 0 HA SER B 5 97.566 -8.901 5.166 1.00 0.00 H new ATOM 0 HB2 SER B 5 96.834 -6.915 4.347 1.00 0.00 H new ATOM 0 HB3 SER B 5 96.006 -6.621 5.864 1.00 0.00 H new ATOM 0 HG SER B 5 97.941 -5.662 6.690 1.00 0.00 H new ATOM 1756 N PRO B 6 99.931 -7.887 5.734 1.00 0.00 N ATOM 1757 CA PRO B 6 101.310 -7.689 6.215 1.00 0.00 C ATOM 1758 C PRO B 6 101.401 -6.363 6.985 1.00 0.00 C ATOM 1759 O PRO B 6 102.237 -6.192 7.850 1.00 0.00 O ATOM 1760 CB PRO B 6 102.180 -7.661 4.935 1.00 0.00 C ATOM 1761 CG PRO B 6 101.213 -7.711 3.717 1.00 0.00 C ATOM 1762 CD PRO B 6 99.792 -7.973 4.263 1.00 0.00 C ATOM 0 HA PRO B 6 101.639 -8.472 6.898 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.790 -6.758 4.905 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.865 -8.509 4.917 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.244 -6.772 3.164 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.509 -8.499 3.024 1.00 0.00 H new ATOM 0 HD2 PRO B 6 99.082 -7.235 3.889 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.425 -8.953 3.957 1.00 0.00 H new ATOM 1770 N LEU B 7 100.544 -5.425 6.676 1.00 0.00 N ATOM 1771 CA LEU B 7 100.580 -4.118 7.387 1.00 0.00 C ATOM 1772 C LEU B 7 100.667 -4.360 8.895 1.00 0.00 C ATOM 1773 O LEU B 7 100.232 -5.378 9.396 1.00 0.00 O ATOM 1774 CB LEU B 7 99.304 -3.329 7.073 1.00 0.00 C ATOM 1775 CG LEU B 7 99.195 -3.079 5.559 1.00 0.00 C ATOM 1776 CD1 LEU B 7 97.749 -2.725 5.200 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.110 -1.918 5.144 1.00 0.00 C ATOM 0 H LEU B 7 99.821 -5.510 5.961 1.00 0.00 H new ATOM 0 HA LEU B 7 101.450 -3.550 7.057 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.431 -3.881 7.422 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.315 -2.378 7.606 1.00 0.00 H new ATOM 0 HG LEU B 7 99.499 -3.984 5.033 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.673 -2.548 4.127 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.093 -3.549 5.479 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.450 -1.825 5.738 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.023 -1.752 4.070 1.00 0.00 H new ATOM 0 HD22 LEU B 7 99.815 -1.014 5.676 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.143 -2.163 5.391 1.00 0.00 H new