USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 571 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 58 GLN : amide:sc= -1.56 K(o=-4.7,f=-11!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 69 LYS NZ :NH3+ 136:sc= -3.19! (180deg=-4.46!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0505! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.03 K(o=-1,f=-7.9!) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= -0.483 (180deg=-1.87!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot -27:sc= 0.242 USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -0.0148 (180deg=-0.235) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 38:sc= -2.53! USER MOD Single : A 50 THR OG1 : rot -83:sc= 0.572 USER MOD Single : A 57 THR OG1 : rot 140:sc= -3.02! USER MOD Single : A 62 ASN : amide:sc= 0.703 K(o=0.7,f=-4.5!) USER MOD Single : A 64 SER OG : rot 160:sc= -5.48! USER MOD Single : A 73 GLN : amide:sc= -0.115 K(o=-0.12,f=-2.3!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 10.755 8.798 -6.245 1.00 0.00 N ATOM 57 CA VAL A 5 9.296 8.936 -6.519 1.00 0.00 C ATOM 58 C VAL A 5 8.906 7.926 -7.604 1.00 0.00 C ATOM 59 O VAL A 5 9.567 7.816 -8.618 1.00 0.00 O ATOM 60 CB VAL A 5 9.017 10.367 -7.000 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.557 10.726 -6.737 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.910 11.341 -6.230 1.00 0.00 C ATOM 0 HA VAL A 5 8.713 8.742 -5.619 1.00 0.00 H new ATOM 0 HB VAL A 5 9.223 10.432 -8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.365 11.743 -7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.909 10.033 -7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.353 10.659 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.715 12.359 -6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.696 11.266 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.957 11.094 -6.408 1.00 0.00 H new ATOM 72 N SER A 6 7.857 7.168 -7.400 1.00 0.00 N ATOM 73 CA SER A 6 7.478 6.158 -8.434 1.00 0.00 C ATOM 74 C SER A 6 6.323 6.652 -9.300 1.00 0.00 C ATOM 75 O SER A 6 5.226 6.872 -8.834 1.00 0.00 O ATOM 76 CB SER A 6 7.050 4.842 -7.777 1.00 0.00 C ATOM 77 OG SER A 6 8.130 4.323 -7.012 1.00 0.00 O ATOM 0 H SER A 6 7.256 7.203 -6.577 1.00 0.00 H new ATOM 0 HA SER A 6 8.359 6.000 -9.056 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.183 5.007 -7.137 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.751 4.123 -8.539 1.00 0.00 H new ATOM 0 HG SER A 6 7.857 3.482 -6.590 1.00 0.00 H new ATOM 83 N LYS A 7 6.556 6.770 -10.572 1.00 0.00 N ATOM 84 CA LYS A 7 5.474 7.179 -11.497 1.00 0.00 C ATOM 85 C LYS A 7 5.012 5.907 -12.202 1.00 0.00 C ATOM 86 O LYS A 7 5.764 5.293 -12.938 1.00 0.00 O ATOM 87 CB LYS A 7 6.018 8.177 -12.520 1.00 0.00 C ATOM 88 CG LYS A 7 4.854 8.890 -13.211 1.00 0.00 C ATOM 89 CD LYS A 7 5.319 9.434 -14.562 1.00 0.00 C ATOM 90 CE LYS A 7 4.102 9.777 -15.422 1.00 0.00 C ATOM 91 NZ LYS A 7 4.181 11.203 -15.845 1.00 0.00 N ATOM 0 H LYS A 7 7.459 6.599 -11.014 1.00 0.00 H new ATOM 0 HA LYS A 7 4.652 7.659 -10.966 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.662 8.905 -12.026 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.630 7.659 -13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.023 8.199 -13.352 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.489 9.704 -12.585 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.935 10.321 -14.416 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.939 8.695 -15.069 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.067 9.128 -16.297 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.185 9.603 -14.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.354 11.438 -16.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.195 11.814 -15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.049 11.354 -16.397 1.00 0.00 H new ATOM 105 N LEU A 8 3.815 5.459 -11.960 1.00 0.00 N ATOM 106 CA LEU A 8 3.404 4.189 -12.616 1.00 0.00 C ATOM 107 C LEU A 8 2.192 4.370 -13.520 1.00 0.00 C ATOM 108 O LEU A 8 1.323 5.189 -13.288 1.00 0.00 O ATOM 109 CB LEU A 8 3.048 3.129 -11.569 1.00 0.00 C ATOM 110 CG LEU A 8 3.826 3.355 -10.275 1.00 0.00 C ATOM 111 CD1 LEU A 8 3.378 2.311 -9.246 1.00 0.00 C ATOM 112 CD2 LEU A 8 5.322 3.198 -10.542 1.00 0.00 C ATOM 0 H LEU A 8 3.121 5.900 -11.356 1.00 0.00 H new ATOM 0 HA LEU A 8 4.256 3.871 -13.217 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.978 3.160 -11.364 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.269 2.136 -11.962 1.00 0.00 H new ATOM 0 HG LEU A 8 3.635 4.359 -9.897 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.925 2.459 -8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.309 2.419 -9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.580 1.311 -9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.876 3.360 -9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.522 2.193 -10.913 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.637 3.929 -11.286 1.00 0.00 H new ATOM 124 N ARG A 9 2.120 3.539 -14.520 1.00 0.00 N ATOM 125 CA ARG A 9 0.965 3.539 -15.447 1.00 0.00 C ATOM 126 C ARG A 9 0.248 2.214 -15.199 1.00 0.00 C ATOM 127 O ARG A 9 0.743 1.160 -15.546 1.00 0.00 O ATOM 128 CB ARG A 9 1.458 3.610 -16.893 1.00 0.00 C ATOM 129 CG ARG A 9 2.340 4.845 -17.074 1.00 0.00 C ATOM 130 CD ARG A 9 2.103 5.440 -18.463 1.00 0.00 C ATOM 131 NE ARG A 9 2.937 6.664 -18.631 1.00 0.00 N ATOM 132 CZ ARG A 9 4.235 6.588 -18.522 1.00 0.00 C ATOM 133 NH1 ARG A 9 4.981 6.584 -19.592 1.00 0.00 N ATOM 134 NH2 ARG A 9 4.787 6.518 -17.341 1.00 0.00 N ATOM 0 H ARG A 9 2.834 2.843 -14.736 1.00 0.00 H new ATOM 0 HA ARG A 9 0.307 4.393 -15.284 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.020 2.710 -17.141 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.609 3.654 -17.575 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.112 5.584 -16.306 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.390 4.576 -16.956 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.354 4.708 -19.231 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.049 5.686 -18.589 1.00 0.00 H new ATOM 0 HE ARG A 9 2.493 7.560 -18.831 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.550 6.640 -20.515 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.996 6.525 -19.506 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.204 6.523 -16.504 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.802 6.459 -17.255 1.00 0.00 H new ATOM 148 N ILE A 10 -0.874 2.244 -14.543 1.00 0.00 N ATOM 149 CA ILE A 10 -1.559 0.966 -14.216 1.00 0.00 C ATOM 150 C ILE A 10 -2.728 0.722 -15.178 1.00 0.00 C ATOM 151 O ILE A 10 -3.699 1.442 -15.193 1.00 0.00 O ATOM 152 CB ILE A 10 -2.045 1.039 -12.761 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.959 1.711 -11.897 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.317 -0.368 -12.221 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.598 2.373 -10.683 1.00 0.00 C ATOM 0 H ILE A 10 -1.344 3.090 -14.221 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.869 0.130 -14.328 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.967 1.619 -12.723 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.228 0.970 -11.575 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.421 2.454 -12.486 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.661 -0.301 -11.189 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.084 -0.849 -12.829 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.400 -0.957 -12.261 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.825 2.846 -10.077 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.312 3.128 -11.014 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.115 1.620 -10.088 1.00 0.00 H new ATOM 167 N ARG A 11 -2.623 -0.290 -15.995 1.00 0.00 N ATOM 168 CA ARG A 11 -3.708 -0.592 -16.969 1.00 0.00 C ATOM 169 C ARG A 11 -4.913 -1.210 -16.258 1.00 0.00 C ATOM 170 O ARG A 11 -4.774 -1.920 -15.285 1.00 0.00 O ATOM 171 CB ARG A 11 -3.194 -1.605 -17.990 1.00 0.00 C ATOM 172 CG ARG A 11 -3.302 -1.023 -19.391 1.00 0.00 C ATOM 173 CD ARG A 11 -1.987 -0.342 -19.739 1.00 0.00 C ATOM 174 NE ARG A 11 -0.982 -1.370 -20.123 1.00 0.00 N ATOM 175 CZ ARG A 11 -0.890 -1.763 -21.363 1.00 0.00 C ATOM 176 NH1 ARG A 11 -1.595 -2.779 -21.779 1.00 0.00 N ATOM 177 NH2 ARG A 11 -0.095 -1.138 -22.188 1.00 0.00 N ATOM 0 H ARG A 11 -1.825 -0.925 -16.029 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.006 0.338 -17.454 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.157 -1.861 -17.772 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.771 -2.527 -17.924 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.522 -1.811 -20.112 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.123 -0.308 -19.441 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.135 0.361 -20.559 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.627 0.234 -18.886 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.364 -1.768 -19.415 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.218 -3.266 -21.134 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.523 -3.087 -22.749 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.454 -0.342 -21.863 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.023 -1.445 -23.158 1.00 0.00 H new ATOM 191 N THR A 12 -6.093 -0.970 -16.760 1.00 0.00 N ATOM 192 CA THR A 12 -7.309 -1.571 -16.137 1.00 0.00 C ATOM 193 C THR A 12 -7.820 -2.699 -17.043 1.00 0.00 C ATOM 194 O THR A 12 -7.224 -2.983 -18.063 1.00 0.00 O ATOM 195 CB THR A 12 -8.403 -0.511 -15.974 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.371 -0.664 -17.003 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.800 0.890 -16.048 1.00 0.00 C ATOM 0 H THR A 12 -6.269 -0.383 -17.576 1.00 0.00 H new ATOM 0 HA THR A 12 -7.055 -1.964 -15.152 1.00 0.00 H new ATOM 0 HB THR A 12 -8.877 -0.641 -15.001 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.071 0.014 -16.897 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.589 1.633 -15.931 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.065 1.012 -15.252 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.314 1.026 -17.014 1.00 0.00 H new ATOM 205 N PRO A 13 -8.909 -3.310 -16.646 1.00 0.00 N ATOM 206 CA PRO A 13 -9.516 -4.410 -17.412 1.00 0.00 C ATOM 207 C PRO A 13 -10.326 -3.852 -18.586 1.00 0.00 C ATOM 208 O PRO A 13 -10.877 -4.588 -19.379 1.00 0.00 O ATOM 209 CB PRO A 13 -10.426 -5.099 -16.392 1.00 0.00 C ATOM 210 CG PRO A 13 -10.725 -4.050 -15.293 1.00 0.00 C ATOM 211 CD PRO A 13 -9.635 -2.967 -15.407 1.00 0.00 C ATOM 0 HA PRO A 13 -8.784 -5.092 -17.845 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.347 -5.441 -16.863 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.939 -5.977 -15.968 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.716 -3.618 -15.430 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.712 -4.510 -14.305 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.070 -1.969 -15.464 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.972 -2.977 -14.542 1.00 0.00 H new ATOM 219 N SER A 14 -10.397 -2.554 -18.700 1.00 0.00 N ATOM 220 CA SER A 14 -11.165 -1.945 -19.822 1.00 0.00 C ATOM 221 C SER A 14 -10.201 -1.234 -20.774 1.00 0.00 C ATOM 222 O SER A 14 -10.606 -0.639 -21.752 1.00 0.00 O ATOM 223 CB SER A 14 -12.169 -0.935 -19.263 1.00 0.00 C ATOM 224 OG SER A 14 -13.244 -1.633 -18.649 1.00 0.00 O ATOM 0 H SER A 14 -9.956 -1.889 -18.064 1.00 0.00 H new ATOM 0 HA SER A 14 -11.699 -2.726 -20.363 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.682 -0.284 -18.538 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.544 -0.297 -20.063 1.00 0.00 H new ATOM 0 HG SER A 14 -13.889 -0.989 -18.288 1.00 0.00 H new ATOM 230 N GLY A 15 -8.925 -1.290 -20.496 1.00 0.00 N ATOM 231 CA GLY A 15 -7.939 -0.616 -21.387 1.00 0.00 C ATOM 232 C GLY A 15 -7.667 0.800 -20.878 1.00 0.00 C ATOM 233 O GLY A 15 -7.250 1.667 -21.620 1.00 0.00 O ATOM 0 H GLY A 15 -8.525 -1.773 -19.692 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.011 -1.187 -21.416 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.322 -0.579 -22.407 1.00 0.00 H new ATOM 237 N GLU A 16 -7.898 1.044 -19.616 1.00 0.00 N ATOM 238 CA GLU A 16 -7.651 2.407 -19.066 1.00 0.00 C ATOM 239 C GLU A 16 -6.246 2.469 -18.464 1.00 0.00 C ATOM 240 O GLU A 16 -5.598 1.458 -18.263 1.00 0.00 O ATOM 241 CB GLU A 16 -8.688 2.720 -17.985 1.00 0.00 C ATOM 242 CG GLU A 16 -9.575 3.879 -18.448 1.00 0.00 C ATOM 243 CD GLU A 16 -10.613 3.362 -19.446 1.00 0.00 C ATOM 244 OE1 GLU A 16 -10.216 2.946 -20.522 1.00 0.00 O ATOM 245 OE2 GLU A 16 -11.787 3.390 -19.116 1.00 0.00 O ATOM 0 H GLU A 16 -8.246 0.360 -18.944 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.733 3.141 -19.867 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.298 1.839 -17.785 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.189 2.981 -17.052 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.073 4.334 -17.592 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.965 4.655 -18.911 1.00 0.00 H new ATOM 252 N PHE A 17 -5.772 3.653 -18.182 1.00 0.00 N ATOM 253 CA PHE A 17 -4.406 3.803 -17.603 1.00 0.00 C ATOM 254 C PHE A 17 -4.477 4.629 -16.311 1.00 0.00 C ATOM 255 O PHE A 17 -4.931 5.756 -16.320 1.00 0.00 O ATOM 256 CB PHE A 17 -3.533 4.565 -18.605 1.00 0.00 C ATOM 257 CG PHE A 17 -2.509 3.653 -19.240 1.00 0.00 C ATOM 258 CD1 PHE A 17 -1.449 3.142 -18.480 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.607 3.340 -20.601 1.00 0.00 C ATOM 260 CE1 PHE A 17 -0.490 2.318 -19.082 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.645 2.519 -21.203 1.00 0.00 C ATOM 262 CZ PHE A 17 -0.587 2.008 -20.442 1.00 0.00 C ATOM 0 H PHE A 17 -6.276 4.528 -18.329 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.992 2.817 -17.391 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.162 5.005 -19.379 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.028 5.388 -18.099 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.371 3.383 -17.430 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.425 3.732 -21.187 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.325 1.922 -18.495 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.719 2.280 -22.254 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.155 1.374 -20.905 1.00 0.00 H new ATOM 272 N LEU A 18 -3.997 4.109 -15.212 1.00 0.00 N ATOM 273 CA LEU A 18 -4.012 4.917 -13.959 1.00 0.00 C ATOM 274 C LEU A 18 -2.628 5.512 -13.773 1.00 0.00 C ATOM 275 O LEU A 18 -1.724 4.866 -13.272 1.00 0.00 O ATOM 276 CB LEU A 18 -4.319 4.073 -12.722 1.00 0.00 C ATOM 277 CG LEU A 18 -5.701 3.444 -12.808 1.00 0.00 C ATOM 278 CD1 LEU A 18 -6.726 4.462 -13.317 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.633 2.256 -13.751 1.00 0.00 C ATOM 0 H LEU A 18 -3.601 3.173 -15.128 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.790 5.674 -14.058 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.567 3.290 -12.618 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.256 4.696 -11.830 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.015 3.117 -11.817 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.708 3.993 -13.372 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.766 5.310 -12.634 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.434 4.808 -14.308 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.617 1.793 -13.824 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.316 2.593 -14.738 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.917 1.528 -13.369 1.00 0.00 H new ATOM 291 N GLU A 19 -2.451 6.732 -14.163 1.00 0.00 N ATOM 292 CA GLU A 19 -1.118 7.372 -13.989 1.00 0.00 C ATOM 293 C GLU A 19 -0.982 7.761 -12.521 1.00 0.00 C ATOM 294 O GLU A 19 -1.878 8.348 -11.948 1.00 0.00 O ATOM 295 CB GLU A 19 -1.019 8.617 -14.874 1.00 0.00 C ATOM 296 CG GLU A 19 -2.222 9.526 -14.614 1.00 0.00 C ATOM 297 CD GLU A 19 -2.902 9.865 -15.942 1.00 0.00 C ATOM 298 OE1 GLU A 19 -3.453 8.963 -16.550 1.00 0.00 O ATOM 299 OE2 GLU A 19 -2.859 11.022 -16.328 1.00 0.00 O ATOM 0 H GLU A 19 -3.165 7.318 -14.595 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.321 6.686 -14.277 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.093 9.153 -14.664 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.989 8.328 -15.925 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.928 9.031 -13.948 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.900 10.440 -14.115 1.00 0.00 H new ATOM 306 N ARG A 20 0.103 7.415 -11.885 1.00 0.00 N ATOM 307 CA ARG A 20 0.219 7.755 -10.443 1.00 0.00 C ATOM 308 C ARG A 20 1.606 8.279 -10.082 1.00 0.00 C ATOM 309 O ARG A 20 2.613 7.636 -10.322 1.00 0.00 O ATOM 310 CB ARG A 20 -0.050 6.498 -9.613 1.00 0.00 C ATOM 311 CG ARG A 20 -0.489 6.885 -8.196 1.00 0.00 C ATOM 312 CD ARG A 20 -1.639 7.893 -8.263 1.00 0.00 C ATOM 313 NE ARG A 20 -1.089 9.278 -8.233 1.00 0.00 N ATOM 314 CZ ARG A 20 -0.547 9.742 -7.139 1.00 0.00 C ATOM 315 NH1 ARG A 20 -0.651 9.075 -6.022 1.00 0.00 N ATOM 316 NH2 ARG A 20 0.100 10.875 -7.163 1.00 0.00 N ATOM 0 H ARG A 20 0.898 6.922 -12.292 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.508 8.539 -10.231 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.824 5.897 -10.090 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.849 5.883 -9.568 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.804 5.997 -7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.351 7.315 -7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.218 7.740 -9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.318 7.742 -7.424 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.136 9.863 -9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.156 8.189 -6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.227 9.439 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.182 11.397 -8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.524 11.239 -6.309 1.00 0.00 H new ATOM 330 N ARG A 21 1.647 9.414 -9.438 1.00 0.00 N ATOM 331 CA ARG A 21 2.942 9.968 -8.968 1.00 0.00 C ATOM 332 C ARG A 21 3.102 9.458 -7.541 1.00 0.00 C ATOM 333 O ARG A 21 2.246 9.670 -6.706 1.00 0.00 O ATOM 334 CB ARG A 21 2.897 11.499 -8.977 1.00 0.00 C ATOM 335 CG ARG A 21 4.057 12.050 -8.143 1.00 0.00 C ATOM 336 CD ARG A 21 4.883 13.019 -8.992 1.00 0.00 C ATOM 337 NE ARG A 21 4.596 14.420 -8.570 1.00 0.00 N ATOM 338 CZ ARG A 21 4.598 14.734 -7.303 1.00 0.00 C ATOM 339 NH1 ARG A 21 5.256 13.997 -6.450 1.00 0.00 N ATOM 340 NH2 ARG A 21 3.945 15.785 -6.890 1.00 0.00 N ATOM 0 H ARG A 21 0.830 9.983 -9.217 1.00 0.00 H new ATOM 0 HA ARG A 21 3.771 9.664 -9.607 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.963 11.869 -10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.947 11.848 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.673 12.561 -7.260 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.686 11.232 -7.791 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.945 12.804 -8.878 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.643 12.890 -10.047 1.00 0.00 H new ATOM 0 HE ARG A 21 4.398 15.133 -9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.768 13.176 -6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.258 14.242 -5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.433 16.362 -7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.947 16.030 -5.900 1.00 0.00 H new ATOM 354 N PHE A 22 4.138 8.730 -7.257 1.00 0.00 N ATOM 355 CA PHE A 22 4.256 8.161 -5.890 1.00 0.00 C ATOM 356 C PHE A 22 5.410 8.757 -5.105 1.00 0.00 C ATOM 357 O PHE A 22 6.536 8.768 -5.549 1.00 0.00 O ATOM 358 CB PHE A 22 4.528 6.673 -6.017 1.00 0.00 C ATOM 359 CG PHE A 22 3.270 5.951 -6.414 1.00 0.00 C ATOM 360 CD1 PHE A 22 2.137 5.984 -5.589 1.00 0.00 C ATOM 361 CD2 PHE A 22 3.233 5.262 -7.629 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.971 5.333 -5.995 1.00 0.00 C ATOM 363 CE2 PHE A 22 2.069 4.610 -8.027 1.00 0.00 C ATOM 364 CZ PHE A 22 0.939 4.650 -7.215 1.00 0.00 C ATOM 0 H PHE A 22 4.898 8.506 -7.899 1.00 0.00 H new ATOM 0 HA PHE A 22 3.327 8.382 -5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.306 6.500 -6.760 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.899 6.281 -5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.166 6.509 -4.646 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.109 5.235 -8.260 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.093 5.357 -5.367 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.043 4.074 -8.964 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.034 4.151 -7.529 1.00 0.00 H new ATOM 374 N LEU A 23 5.151 9.159 -3.897 1.00 0.00 N ATOM 375 CA LEU A 23 6.248 9.661 -3.042 1.00 0.00 C ATOM 376 C LEU A 23 6.886 8.427 -2.415 1.00 0.00 C ATOM 377 O LEU A 23 6.222 7.646 -1.775 1.00 0.00 O ATOM 378 CB LEU A 23 5.688 10.574 -1.949 1.00 0.00 C ATOM 379 CG LEU A 23 6.601 11.789 -1.778 1.00 0.00 C ATOM 380 CD1 LEU A 23 8.009 11.321 -1.407 1.00 0.00 C ATOM 381 CD2 LEU A 23 6.654 12.573 -3.090 1.00 0.00 C ATOM 0 H LEU A 23 4.226 9.161 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 23 6.971 10.241 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.681 10.897 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.612 10.028 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 23 6.211 12.429 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.660 12.187 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.972 10.761 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.400 10.682 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.304 13.439 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.045 11.933 -3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.651 12.906 -3.355 1.00 0.00 H new ATOM 393 N ALA A 24 8.145 8.213 -2.630 1.00 0.00 N ATOM 394 CA ALA A 24 8.800 6.991 -2.072 1.00 0.00 C ATOM 395 C ALA A 24 8.300 6.691 -0.648 1.00 0.00 C ATOM 396 O ALA A 24 8.332 5.555 -0.201 1.00 0.00 O ATOM 397 CB ALA A 24 10.312 7.201 -2.054 1.00 0.00 C ATOM 0 H ALA A 24 8.757 8.827 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 24 8.546 6.140 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.798 6.314 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.667 7.377 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.552 8.063 -1.432 1.00 0.00 H new ATOM 403 N SER A 25 7.842 7.685 0.070 1.00 0.00 N ATOM 404 CA SER A 25 7.352 7.437 1.460 1.00 0.00 C ATOM 405 C SER A 25 5.841 7.169 1.452 1.00 0.00 C ATOM 406 O SER A 25 5.219 7.037 2.487 1.00 0.00 O ATOM 407 CB SER A 25 7.639 8.665 2.325 1.00 0.00 C ATOM 408 OG SER A 25 6.710 9.692 2.006 1.00 0.00 O ATOM 0 H SER A 25 7.786 8.654 -0.244 1.00 0.00 H new ATOM 0 HA SER A 25 7.867 6.566 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.564 8.406 3.381 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.657 9.014 2.154 1.00 0.00 H new ATOM 0 HG SER A 25 6.890 10.480 2.560 1.00 0.00 H new ATOM 414 N ASN A 26 5.246 7.091 0.294 1.00 0.00 N ATOM 415 CA ASN A 26 3.780 6.836 0.219 1.00 0.00 C ATOM 416 C ASN A 26 3.482 5.422 0.720 1.00 0.00 C ATOM 417 O ASN A 26 4.321 4.776 1.318 1.00 0.00 O ATOM 418 CB ASN A 26 3.314 6.973 -1.232 1.00 0.00 C ATOM 419 CG ASN A 26 2.675 8.348 -1.433 1.00 0.00 C ATOM 420 OD1 ASN A 26 2.973 9.036 -2.389 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.801 8.781 -0.566 1.00 0.00 N ATOM 0 H ASN A 26 5.714 7.193 -0.607 1.00 0.00 H new ATOM 0 HA ASN A 26 3.252 7.559 0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.159 6.850 -1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.596 6.188 -1.471 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.369 9.696 -0.691 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.550 8.204 0.237 1.00 0.00 H new ATOM 428 N LYS A 27 2.293 4.934 0.486 1.00 0.00 N ATOM 429 CA LYS A 27 1.952 3.565 0.962 1.00 0.00 C ATOM 430 C LYS A 27 1.170 2.804 -0.115 1.00 0.00 C ATOM 431 O LYS A 27 0.340 3.359 -0.824 1.00 0.00 O ATOM 432 CB LYS A 27 1.103 3.661 2.232 1.00 0.00 C ATOM 433 CG LYS A 27 1.499 4.909 3.024 1.00 0.00 C ATOM 434 CD LYS A 27 0.700 6.111 2.518 1.00 0.00 C ATOM 435 CE LYS A 27 0.735 7.225 3.567 1.00 0.00 C ATOM 436 NZ LYS A 27 0.426 6.653 4.907 1.00 0.00 N ATOM 0 H LYS A 27 1.548 5.422 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 27 2.876 3.028 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.045 3.704 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.245 2.770 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.309 4.754 4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.567 5.097 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.118 6.469 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.331 5.818 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.717 7.698 3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.011 8.000 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.025 7.379 5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.219 5.845 4.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.306 6.335 5.360 1.00 0.00 H new ATOM 450 N LEU A 28 1.416 1.531 -0.236 1.00 0.00 N ATOM 451 CA LEU A 28 0.678 0.740 -1.250 1.00 0.00 C ATOM 452 C LEU A 28 -0.816 0.973 -1.044 1.00 0.00 C ATOM 453 O LEU A 28 -1.560 1.160 -1.986 1.00 0.00 O ATOM 454 CB LEU A 28 0.992 -0.742 -1.083 1.00 0.00 C ATOM 455 CG LEU A 28 1.353 -1.362 -2.433 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.387 -0.526 -3.179 1.00 0.00 C ATOM 457 CD2 LEU A 28 1.911 -2.755 -2.191 1.00 0.00 C ATOM 0 H LEU A 28 2.092 1.009 0.321 1.00 0.00 H new ATOM 0 HA LEU A 28 0.975 1.049 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.818 -0.869 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.131 -1.257 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 28 0.454 -1.404 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.618 -0.999 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.988 0.473 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.296 -0.453 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.174 -3.212 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.800 -2.687 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.160 -3.366 -1.691 1.00 0.00 H new ATOM 469 N GLN A 29 -1.265 0.980 0.188 1.00 0.00 N ATOM 470 CA GLN A 29 -2.710 1.224 0.435 1.00 0.00 C ATOM 471 C GLN A 29 -3.107 2.492 -0.315 1.00 0.00 C ATOM 472 O GLN A 29 -4.204 2.603 -0.826 1.00 0.00 O ATOM 473 CB GLN A 29 -2.958 1.402 1.941 1.00 0.00 C ATOM 474 CG GLN A 29 -4.271 2.159 2.171 1.00 0.00 C ATOM 475 CD GLN A 29 -4.496 2.348 3.672 1.00 0.00 C ATOM 476 OE1 GLN A 29 -4.573 3.462 4.151 1.00 0.00 O ATOM 477 NE2 GLN A 29 -4.605 1.299 4.441 1.00 0.00 N ATOM 0 H GLN A 29 -0.696 0.829 1.021 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.304 0.379 0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.000 0.428 2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.130 1.949 2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.236 3.128 1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.103 1.606 1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.540 0.364 4.040 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.755 1.415 5.443 1.00 0.00 H new ATOM 486 N ILE A 30 -2.219 3.448 -0.406 1.00 0.00 N ATOM 487 CA ILE A 30 -2.564 4.686 -1.147 1.00 0.00 C ATOM 488 C ILE A 30 -2.656 4.344 -2.622 1.00 0.00 C ATOM 489 O ILE A 30 -3.557 4.757 -3.315 1.00 0.00 O ATOM 490 CB ILE A 30 -1.495 5.767 -0.924 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.220 7.109 -0.808 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.490 5.811 -2.097 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.245 8.264 -1.056 1.00 0.00 C ATOM 0 H ILE A 30 -1.282 3.422 -0.003 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.516 5.077 -0.787 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.928 5.546 -0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.036 7.152 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.664 7.206 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.254 6.586 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.007 4.845 -2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.021 6.034 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.775 9.212 -0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.443 8.228 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.822 8.174 -2.056 1.00 0.00 H new ATOM 505 N VAL A 31 -1.725 3.577 -3.102 1.00 0.00 N ATOM 506 CA VAL A 31 -1.777 3.198 -4.542 1.00 0.00 C ATOM 507 C VAL A 31 -3.116 2.532 -4.800 1.00 0.00 C ATOM 508 O VAL A 31 -3.849 2.880 -5.708 1.00 0.00 O ATOM 509 CB VAL A 31 -0.669 2.204 -4.884 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.451 2.214 -6.397 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.622 2.605 -4.177 1.00 0.00 C ATOM 0 H VAL A 31 -0.940 3.199 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.647 4.091 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.955 1.205 -4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.338 1.508 -6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.374 1.926 -6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.161 3.215 -6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.409 1.892 -4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.920 3.602 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.461 2.607 -3.099 1.00 0.00 H new ATOM 521 N PHE A 32 -3.426 1.567 -3.994 1.00 0.00 N ATOM 522 CA PHE A 32 -4.707 0.831 -4.146 1.00 0.00 C ATOM 523 C PHE A 32 -5.887 1.803 -4.060 1.00 0.00 C ATOM 524 O PHE A 32 -6.846 1.695 -4.803 1.00 0.00 O ATOM 525 CB PHE A 32 -4.823 -0.193 -3.017 1.00 0.00 C ATOM 526 CG PHE A 32 -3.594 -1.085 -2.989 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.633 -1.008 -4.010 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.416 -1.993 -1.935 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.504 -1.836 -3.970 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.284 -2.818 -1.901 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.334 -2.738 -2.914 1.00 0.00 C ATOM 0 H PHE A 32 -2.839 1.249 -3.223 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.724 0.333 -5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.931 0.320 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.718 -0.799 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.764 -0.311 -4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.153 -2.056 -1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.764 -1.778 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.149 -3.516 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.462 -3.375 -2.885 1.00 0.00 H new ATOM 541 N ASP A 33 -5.836 2.746 -3.156 1.00 0.00 N ATOM 542 CA ASP A 33 -6.972 3.703 -3.026 1.00 0.00 C ATOM 543 C ASP A 33 -6.992 4.657 -4.222 1.00 0.00 C ATOM 544 O ASP A 33 -8.035 4.994 -4.747 1.00 0.00 O ATOM 545 CB ASP A 33 -6.810 4.509 -1.735 1.00 0.00 C ATOM 546 CG ASP A 33 -8.018 4.272 -0.828 1.00 0.00 C ATOM 547 OD1 ASP A 33 -9.056 4.856 -1.092 1.00 0.00 O ATOM 548 OD2 ASP A 33 -7.885 3.511 0.116 1.00 0.00 O ATOM 0 H ASP A 33 -5.063 2.894 -2.507 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.909 3.146 -2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.894 4.214 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.718 5.570 -1.966 1.00 0.00 H new ATOM 553 N PHE A 34 -5.847 5.100 -4.648 1.00 0.00 N ATOM 554 CA PHE A 34 -5.792 6.041 -5.795 1.00 0.00 C ATOM 555 C PHE A 34 -6.405 5.383 -7.035 1.00 0.00 C ATOM 556 O PHE A 34 -7.245 5.960 -7.697 1.00 0.00 O ATOM 557 CB PHE A 34 -4.319 6.424 -6.038 1.00 0.00 C ATOM 558 CG PHE A 34 -3.869 6.039 -7.431 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.420 6.675 -8.548 1.00 0.00 C ATOM 560 CD2 PHE A 34 -2.897 5.050 -7.595 1.00 0.00 C ATOM 561 CE1 PHE A 34 -3.996 6.317 -9.833 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.470 4.695 -8.875 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.021 5.327 -9.996 1.00 0.00 C ATOM 0 H PHE A 34 -4.942 4.850 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.366 6.943 -5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.193 7.498 -5.897 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.687 5.930 -5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.171 7.441 -8.419 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.475 4.559 -6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.421 6.805 -10.698 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.715 3.933 -9.001 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.693 5.050 -10.987 1.00 0.00 H new ATOM 573 N VAL A 35 -5.996 4.187 -7.360 1.00 0.00 N ATOM 574 CA VAL A 35 -6.579 3.538 -8.568 1.00 0.00 C ATOM 575 C VAL A 35 -8.055 3.238 -8.311 1.00 0.00 C ATOM 576 O VAL A 35 -8.910 3.630 -9.080 1.00 0.00 O ATOM 577 CB VAL A 35 -5.837 2.239 -8.910 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.652 2.560 -9.822 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.325 1.571 -7.632 1.00 0.00 C ATOM 0 H VAL A 35 -5.299 3.641 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.477 4.218 -9.414 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.523 1.560 -9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.122 1.640 -10.067 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.014 3.026 -10.739 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.974 3.244 -9.311 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.800 0.650 -7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.642 2.247 -7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.167 1.339 -6.980 1.00 0.00 H new ATOM 589 N ALA A 36 -8.378 2.586 -7.222 1.00 0.00 N ATOM 590 CA ALA A 36 -9.817 2.317 -6.950 1.00 0.00 C ATOM 591 C ALA A 36 -10.538 3.660 -6.825 1.00 0.00 C ATOM 592 O ALA A 36 -11.744 3.740 -6.872 1.00 0.00 O ATOM 593 CB ALA A 36 -9.977 1.495 -5.668 1.00 0.00 C ATOM 0 H ALA A 36 -7.721 2.236 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.250 1.738 -7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.035 1.308 -5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.454 0.545 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.555 2.046 -4.827 1.00 0.00 H new ATOM 599 N SER A 37 -9.803 4.727 -6.683 1.00 0.00 N ATOM 600 CA SER A 37 -10.446 6.061 -6.595 1.00 0.00 C ATOM 601 C SER A 37 -10.631 6.602 -8.020 1.00 0.00 C ATOM 602 O SER A 37 -11.328 7.570 -8.245 1.00 0.00 O ATOM 603 CB SER A 37 -9.554 7.012 -5.795 1.00 0.00 C ATOM 604 OG SER A 37 -10.114 8.318 -5.822 1.00 0.00 O ATOM 0 H SER A 37 -8.785 4.730 -6.624 1.00 0.00 H new ATOM 0 HA SER A 37 -11.411 5.980 -6.095 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.463 6.664 -4.766 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.549 7.026 -6.216 1.00 0.00 H new ATOM 0 HG SER A 37 -10.649 8.428 -6.635 1.00 0.00 H new ATOM 610 N LYS A 38 -9.989 5.983 -8.984 1.00 0.00 N ATOM 611 CA LYS A 38 -10.100 6.454 -10.396 1.00 0.00 C ATOM 612 C LYS A 38 -11.379 5.906 -11.051 1.00 0.00 C ATOM 613 O LYS A 38 -12.388 6.580 -11.114 1.00 0.00 O ATOM 614 CB LYS A 38 -8.871 5.972 -11.179 1.00 0.00 C ATOM 615 CG LYS A 38 -8.112 7.181 -11.735 1.00 0.00 C ATOM 616 CD LYS A 38 -7.791 8.148 -10.593 1.00 0.00 C ATOM 617 CE LYS A 38 -8.391 9.521 -10.901 1.00 0.00 C ATOM 618 NZ LYS A 38 -7.717 10.101 -12.098 1.00 0.00 N ATOM 0 H LYS A 38 -9.391 5.168 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.148 7.543 -10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.219 5.387 -10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.180 5.317 -11.994 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.192 6.855 -12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.712 7.683 -12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.194 7.766 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.712 8.232 -10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.462 9.429 -11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.268 10.184 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.804 11.137 -12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.711 9.838 -12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.165 9.733 -12.961 1.00 0.00 H new ATOM 632 N GLY A 39 -11.341 4.700 -11.554 1.00 0.00 N ATOM 633 CA GLY A 39 -12.551 4.127 -12.219 1.00 0.00 C ATOM 634 C GLY A 39 -12.979 2.836 -11.511 1.00 0.00 C ATOM 635 O GLY A 39 -14.079 2.347 -11.682 1.00 0.00 O ATOM 0 H GLY A 39 -10.526 4.087 -11.534 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.366 4.851 -12.196 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.336 3.922 -13.268 1.00 0.00 H new ATOM 745 N LYS A 46 -6.748 -5.628 -6.896 1.00 0.00 N ATOM 746 CA LYS A 46 -5.296 -5.821 -6.637 1.00 0.00 C ATOM 747 C LYS A 46 -4.550 -5.507 -7.929 1.00 0.00 C ATOM 748 O LYS A 46 -4.962 -5.891 -9.007 1.00 0.00 O ATOM 749 CB LYS A 46 -5.031 -7.271 -6.224 1.00 0.00 C ATOM 750 CG LYS A 46 -4.577 -7.312 -4.763 1.00 0.00 C ATOM 751 CD LYS A 46 -5.647 -8.003 -3.914 1.00 0.00 C ATOM 752 CE LYS A 46 -6.929 -7.169 -3.928 1.00 0.00 C ATOM 753 NZ LYS A 46 -7.901 -7.737 -2.952 1.00 0.00 N ATOM 0 HA LYS A 46 -4.960 -5.167 -5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.934 -7.867 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.266 -7.709 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.631 -7.847 -4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.404 -6.300 -4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.846 -9.001 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.291 -8.125 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.705 -6.133 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.362 -7.165 -4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.773 -7.170 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.123 -8.719 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.486 -7.719 -1.998 1.00 0.00 H new ATOM 767 N LEU A 47 -3.469 -4.796 -7.838 1.00 0.00 N ATOM 768 CA LEU A 47 -2.712 -4.437 -9.062 1.00 0.00 C ATOM 769 C LEU A 47 -1.605 -5.461 -9.302 1.00 0.00 C ATOM 770 O LEU A 47 -1.102 -6.069 -8.386 1.00 0.00 O ATOM 771 CB LEU A 47 -2.105 -3.053 -8.872 1.00 0.00 C ATOM 772 CG LEU A 47 -3.220 -2.061 -8.545 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.703 -1.025 -7.550 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.671 -1.366 -9.830 1.00 0.00 C ATOM 0 H LEU A 47 -3.074 -4.446 -6.965 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.379 -4.433 -9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.370 -3.072 -8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.580 -2.745 -9.776 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.065 -2.590 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.498 -0.317 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.383 -1.526 -6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.858 -0.491 -7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.467 -0.657 -9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.828 -0.834 -10.271 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.040 -2.110 -10.536 1.00 0.00 H new ATOM 786 N LEU A 48 -1.233 -5.669 -10.531 1.00 0.00 N ATOM 787 CA LEU A 48 -0.161 -6.658 -10.827 1.00 0.00 C ATOM 788 C LEU A 48 1.061 -5.908 -11.356 1.00 0.00 C ATOM 789 O LEU A 48 0.987 -5.219 -12.354 1.00 0.00 O ATOM 790 CB LEU A 48 -0.668 -7.653 -11.881 1.00 0.00 C ATOM 791 CG LEU A 48 0.502 -8.422 -12.510 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.149 -7.570 -13.604 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.545 -8.756 -11.441 1.00 0.00 C ATOM 0 H LEU A 48 -1.625 -5.197 -11.346 1.00 0.00 H new ATOM 0 HA LEU A 48 0.110 -7.207 -9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.365 -8.354 -11.421 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.218 -7.120 -12.657 1.00 0.00 H new ATOM 0 HG LEU A 48 0.125 -9.348 -12.944 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.979 -8.118 -14.049 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.411 -7.343 -14.373 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.519 -6.641 -13.171 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.371 -9.302 -11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.920 -7.833 -10.998 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.088 -9.371 -10.666 1.00 0.00 H new ATOM 805 N SER A 49 2.185 -6.020 -10.697 1.00 0.00 N ATOM 806 CA SER A 49 3.386 -5.290 -11.187 1.00 0.00 C ATOM 807 C SER A 49 3.929 -6.017 -12.415 1.00 0.00 C ATOM 808 O SER A 49 4.251 -7.192 -12.363 1.00 0.00 O ATOM 809 CB SER A 49 4.459 -5.245 -10.098 1.00 0.00 C ATOM 810 OG SER A 49 4.226 -6.287 -9.160 1.00 0.00 O ATOM 0 H SER A 49 2.321 -6.577 -9.853 1.00 0.00 H new ATOM 0 HA SER A 49 3.113 -4.267 -11.446 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.448 -5.356 -10.542 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.442 -4.278 -9.595 1.00 0.00 H new ATOM 0 HG SER A 49 3.915 -7.088 -9.631 1.00 0.00 H new ATOM 816 N THR A 50 4.010 -5.329 -13.523 1.00 0.00 N ATOM 817 CA THR A 50 4.500 -5.966 -14.777 1.00 0.00 C ATOM 818 C THR A 50 6.025 -6.094 -14.765 1.00 0.00 C ATOM 819 O THR A 50 6.565 -7.143 -15.056 1.00 0.00 O ATOM 820 CB THR A 50 4.074 -5.109 -15.974 1.00 0.00 C ATOM 821 OG1 THR A 50 4.867 -3.931 -16.014 1.00 0.00 O ATOM 822 CG2 THR A 50 2.596 -4.728 -15.836 1.00 0.00 C ATOM 0 H THR A 50 3.755 -4.345 -13.612 1.00 0.00 H new ATOM 0 HA THR A 50 4.069 -6.964 -14.853 1.00 0.00 H new ATOM 0 HB THR A 50 4.214 -5.675 -16.895 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.488 -3.261 -15.408 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.296 -4.119 -16.689 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.988 -5.632 -15.805 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.451 -4.161 -14.916 1.00 0.00 H new ATOM 830 N PHE A 51 6.731 -5.038 -14.452 1.00 0.00 N ATOM 831 CA PHE A 51 8.220 -5.123 -14.451 1.00 0.00 C ATOM 832 C PHE A 51 8.661 -6.431 -13.778 1.00 0.00 C ATOM 833 O PHE A 51 9.210 -7.293 -14.435 1.00 0.00 O ATOM 834 CB PHE A 51 8.817 -3.915 -13.728 1.00 0.00 C ATOM 835 CG PHE A 51 9.345 -2.930 -14.744 1.00 0.00 C ATOM 836 CD1 PHE A 51 8.504 -2.445 -15.752 1.00 0.00 C ATOM 837 CD2 PHE A 51 10.676 -2.501 -14.676 1.00 0.00 C ATOM 838 CE1 PHE A 51 8.994 -1.531 -16.693 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.166 -1.586 -15.617 1.00 0.00 C ATOM 840 CZ PHE A 51 10.325 -1.101 -16.625 1.00 0.00 C ATOM 0 H PHE A 51 6.344 -4.129 -14.199 1.00 0.00 H new ATOM 0 HA PHE A 51 8.582 -5.118 -15.479 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.059 -3.440 -13.105 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.620 -4.235 -13.065 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.477 -2.776 -15.804 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.325 -2.875 -13.898 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.345 -1.158 -17.471 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.193 -1.255 -15.565 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.702 -0.395 -17.350 1.00 0.00 H new ATOM 850 N PRO A 52 8.400 -6.565 -12.497 1.00 0.00 N ATOM 851 CA PRO A 52 8.759 -7.787 -11.759 1.00 0.00 C ATOM 852 C PRO A 52 7.716 -8.876 -12.028 1.00 0.00 C ATOM 853 O PRO A 52 7.905 -10.029 -11.693 1.00 0.00 O ATOM 854 CB PRO A 52 8.708 -7.356 -10.293 1.00 0.00 C ATOM 855 CG PRO A 52 7.779 -6.122 -10.238 1.00 0.00 C ATOM 856 CD PRO A 52 7.739 -5.535 -11.663 1.00 0.00 C ATOM 0 HA PRO A 52 9.729 -8.193 -12.044 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.325 -8.160 -9.664 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.704 -7.110 -9.925 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.779 -6.404 -9.907 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.154 -5.386 -9.527 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.715 -5.353 -11.991 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.265 -4.582 -11.716 1.00 0.00 H new ATOM 864 N ARG A 53 6.609 -8.512 -12.621 1.00 0.00 N ATOM 865 CA ARG A 53 5.547 -9.518 -12.900 1.00 0.00 C ATOM 866 C ARG A 53 5.130 -10.171 -11.583 1.00 0.00 C ATOM 867 O ARG A 53 5.117 -11.379 -11.452 1.00 0.00 O ATOM 868 CB ARG A 53 6.088 -10.586 -13.854 1.00 0.00 C ATOM 869 CG ARG A 53 4.981 -11.016 -14.820 1.00 0.00 C ATOM 870 CD ARG A 53 5.596 -11.785 -15.992 1.00 0.00 C ATOM 871 NE ARG A 53 5.269 -11.089 -17.269 1.00 0.00 N ATOM 872 CZ ARG A 53 5.407 -11.715 -18.406 1.00 0.00 C ATOM 873 NH1 ARG A 53 4.352 -12.051 -19.098 1.00 0.00 N ATOM 874 NH2 ARG A 53 6.599 -12.004 -18.851 1.00 0.00 N ATOM 0 H ARG A 53 6.396 -7.561 -12.923 1.00 0.00 H new ATOM 0 HA ARG A 53 4.688 -9.031 -13.361 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.939 -10.194 -14.411 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.446 -11.446 -13.288 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.254 -11.642 -14.302 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.444 -10.141 -15.187 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.677 -11.853 -15.869 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.213 -12.805 -16.013 1.00 0.00 H new ATOM 0 HE ARG A 53 4.938 -10.124 -17.254 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.420 -11.824 -18.750 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.459 -12.540 -19.987 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.423 -11.741 -18.310 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.707 -12.493 -19.739 1.00 0.00 H new ATOM 888 N ARG A 54 4.802 -9.377 -10.598 1.00 0.00 N ATOM 889 CA ARG A 54 4.403 -9.953 -9.280 1.00 0.00 C ATOM 890 C ARG A 54 3.159 -9.237 -8.741 1.00 0.00 C ATOM 891 O ARG A 54 2.751 -8.212 -9.247 1.00 0.00 O ATOM 892 CB ARG A 54 5.556 -9.784 -8.294 1.00 0.00 C ATOM 893 CG ARG A 54 5.708 -8.304 -7.935 1.00 0.00 C ATOM 894 CD ARG A 54 6.978 -8.103 -7.107 1.00 0.00 C ATOM 895 NE ARG A 54 6.904 -8.932 -5.872 1.00 0.00 N ATOM 896 CZ ARG A 54 7.965 -9.562 -5.444 1.00 0.00 C ATOM 897 NH1 ARG A 54 9.117 -8.949 -5.408 1.00 0.00 N ATOM 898 NH2 ARG A 54 7.874 -10.802 -5.052 1.00 0.00 N ATOM 0 H ARG A 54 4.793 -8.358 -10.648 1.00 0.00 H new ATOM 0 HA ARG A 54 4.171 -11.011 -9.406 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.368 -10.370 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.481 -10.160 -8.732 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.755 -7.703 -8.843 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.838 -7.965 -7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.854 -8.382 -7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.091 -7.051 -6.845 1.00 0.00 H new ATOM 0 HE ARG A 54 6.025 -9.008 -5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.188 -7.979 -5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.946 -9.440 -5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.974 -11.281 -5.079 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.703 -11.293 -4.718 1.00 0.00 H new ATOM 912 N ASP A 55 2.559 -9.774 -7.709 1.00 0.00 N ATOM 913 CA ASP A 55 1.343 -9.131 -7.129 1.00 0.00 C ATOM 914 C ASP A 55 1.678 -7.709 -6.671 1.00 0.00 C ATOM 915 O ASP A 55 2.342 -7.512 -5.674 1.00 0.00 O ATOM 916 CB ASP A 55 0.856 -9.952 -5.933 1.00 0.00 C ATOM 917 CG ASP A 55 -0.619 -9.645 -5.673 1.00 0.00 C ATOM 918 OD1 ASP A 55 -0.941 -8.481 -5.496 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.404 -10.579 -5.654 1.00 0.00 O ATOM 0 H ASP A 55 2.859 -10.630 -7.243 1.00 0.00 H new ATOM 0 HA ASP A 55 0.560 -9.089 -7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.988 -11.016 -6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.449 -9.715 -5.050 1.00 0.00 H new ATOM 924 N VAL A 56 1.215 -6.730 -7.408 1.00 0.00 N ATOM 925 CA VAL A 56 1.477 -5.293 -7.076 1.00 0.00 C ATOM 926 C VAL A 56 2.787 -5.143 -6.304 1.00 0.00 C ATOM 927 O VAL A 56 2.848 -5.312 -5.111 1.00 0.00 O ATOM 928 CB VAL A 56 0.306 -4.700 -6.281 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.353 -5.159 -4.828 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.389 -3.175 -6.349 1.00 0.00 C ATOM 0 H VAL A 56 0.652 -6.870 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 56 1.571 -4.740 -8.010 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.634 -5.043 -6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.486 -4.727 -4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.291 -6.246 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.288 -4.832 -4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.438 -2.740 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.334 -2.843 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.330 -2.853 -7.389 1.00 0.00 H new ATOM 940 N THR A 57 3.823 -4.814 -7.017 1.00 0.00 N ATOM 941 CA THR A 57 5.185 -4.620 -6.425 1.00 0.00 C ATOM 942 C THR A 57 5.294 -5.136 -4.976 1.00 0.00 C ATOM 943 O THR A 57 5.315 -4.371 -4.032 1.00 0.00 O ATOM 944 CB THR A 57 5.541 -3.130 -6.481 1.00 0.00 C ATOM 945 OG1 THR A 57 6.352 -2.790 -5.370 1.00 0.00 O ATOM 946 CG2 THR A 57 4.259 -2.288 -6.469 1.00 0.00 C ATOM 0 H THR A 57 3.786 -4.665 -8.025 1.00 0.00 H new ATOM 0 HA THR A 57 5.888 -5.209 -7.014 1.00 0.00 H new ATOM 0 HB THR A 57 6.091 -2.927 -7.400 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.054 -2.169 -5.655 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.518 -1.230 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.647 -2.545 -7.334 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.699 -2.490 -5.556 1.00 0.00 H new ATOM 954 N GLN A 58 5.409 -6.432 -4.808 1.00 0.00 N ATOM 955 CA GLN A 58 5.582 -7.027 -3.436 1.00 0.00 C ATOM 956 C GLN A 58 4.264 -7.123 -2.651 1.00 0.00 C ATOM 957 O GLN A 58 4.211 -7.757 -1.615 1.00 0.00 O ATOM 958 CB GLN A 58 6.582 -6.185 -2.639 1.00 0.00 C ATOM 959 CG GLN A 58 7.765 -7.062 -2.222 1.00 0.00 C ATOM 960 CD GLN A 58 8.421 -6.472 -0.972 1.00 0.00 C ATOM 961 OE1 GLN A 58 8.090 -5.378 -0.558 1.00 0.00 O ATOM 962 NE2 GLN A 58 9.341 -7.155 -0.349 1.00 0.00 N ATOM 0 H GLN A 58 5.391 -7.113 -5.568 1.00 0.00 H new ATOM 0 HA GLN A 58 5.950 -8.044 -3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.931 -5.347 -3.242 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.099 -5.764 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.426 -8.078 -2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.491 -7.122 -3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.618 -8.073 -0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.783 -6.771 0.486 1.00 0.00 H new ATOM 971 N LEU A 59 3.205 -6.524 -3.109 1.00 0.00 N ATOM 972 CA LEU A 59 1.920 -6.619 -2.355 1.00 0.00 C ATOM 973 C LEU A 59 2.037 -5.902 -1.008 1.00 0.00 C ATOM 974 O LEU A 59 2.961 -5.151 -0.771 1.00 0.00 O ATOM 975 CB LEU A 59 1.583 -8.090 -2.114 1.00 0.00 C ATOM 976 CG LEU A 59 0.466 -8.514 -3.065 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.247 -10.023 -2.953 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.826 -7.783 -2.690 1.00 0.00 C ATOM 0 H LEU A 59 3.169 -5.975 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 59 1.132 -6.146 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.466 -8.708 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.272 -8.239 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 59 0.744 -8.262 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.550 -10.326 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.167 -10.545 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.032 -10.275 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.625 -8.084 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.104 -8.036 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.671 -6.707 -2.768 1.00 0.00 H new ATOM 990 N ASP A 60 1.095 -6.134 -0.128 1.00 0.00 N ATOM 991 CA ASP A 60 1.125 -5.479 1.213 1.00 0.00 C ATOM 992 C ASP A 60 0.584 -4.047 1.102 1.00 0.00 C ATOM 993 O ASP A 60 1.334 -3.114 0.884 1.00 0.00 O ATOM 994 CB ASP A 60 2.561 -5.451 1.741 1.00 0.00 C ATOM 995 CG ASP A 60 3.238 -6.792 1.453 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.539 -7.715 1.069 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.444 -6.873 1.620 1.00 0.00 O ATOM 0 H ASP A 60 0.301 -6.754 -0.284 1.00 0.00 H new ATOM 0 HA ASP A 60 0.500 -6.045 1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.118 -4.642 1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.562 -5.254 2.813 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.710 -3.917 1.273 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.396 -2.613 1.197 1.00 0.00 C ATOM 1004 C PRO A 61 -1.025 -1.754 2.397 1.00 0.00 C ATOM 1005 O PRO A 61 -1.213 -0.553 2.406 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.885 -2.980 1.209 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.976 -4.396 1.822 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.602 -5.053 1.588 1.00 0.00 C ATOM 0 HA PRO A 61 -1.124 -2.032 0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.458 -2.263 1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.298 -2.965 0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.208 -4.346 2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.770 -4.975 1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.263 -5.594 2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.638 -5.771 0.769 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.481 -2.370 3.399 1.00 0.00 N ATOM 1017 CA ASN A 62 -0.074 -1.614 4.614 1.00 0.00 C ATOM 1018 C ASN A 62 1.420 -1.310 4.539 1.00 0.00 C ATOM 1019 O ASN A 62 1.981 -0.687 5.417 1.00 0.00 O ATOM 1020 CB ASN A 62 -0.362 -2.455 5.859 1.00 0.00 C ATOM 1021 CG ASN A 62 0.318 -3.819 5.722 1.00 0.00 C ATOM 1022 OD1 ASN A 62 0.054 -4.553 4.791 1.00 0.00 O ATOM 1023 ND2 ASN A 62 1.190 -4.192 6.620 1.00 0.00 N ATOM 0 H ASN A 62 -0.298 -3.373 3.433 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.635 -0.681 4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.003 -1.943 6.749 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.437 -2.584 5.983 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.649 -5.099 6.539 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.412 -3.576 7.402 1.00 0.00 H new ATOM 1030 N LYS A 63 2.070 -1.744 3.494 1.00 0.00 N ATOM 1031 CA LYS A 63 3.525 -1.477 3.367 1.00 0.00 C ATOM 1032 C LYS A 63 3.734 -0.099 2.744 1.00 0.00 C ATOM 1033 O LYS A 63 2.858 0.441 2.096 1.00 0.00 O ATOM 1034 CB LYS A 63 4.171 -2.540 2.481 1.00 0.00 C ATOM 1035 CG LYS A 63 4.712 -3.671 3.358 1.00 0.00 C ATOM 1036 CD LYS A 63 5.739 -4.485 2.570 1.00 0.00 C ATOM 1037 CE LYS A 63 6.323 -5.578 3.468 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.363 -6.335 2.716 1.00 0.00 N ATOM 0 H LYS A 63 1.655 -2.271 2.726 1.00 0.00 H new ATOM 0 HA LYS A 63 3.985 -1.506 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.441 -2.932 1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.979 -2.100 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.171 -3.260 4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.895 -4.315 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.269 -4.932 1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.534 -3.834 2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.757 -5.134 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.533 -6.253 3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.760 -7.078 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.935 -6.770 1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.121 -5.686 2.423 1.00 0.00 H new ATOM 1052 N SER A 64 4.889 0.470 2.928 1.00 0.00 N ATOM 1053 CA SER A 64 5.157 1.806 2.340 1.00 0.00 C ATOM 1054 C SER A 64 5.737 1.588 0.949 1.00 0.00 C ATOM 1055 O SER A 64 5.996 0.469 0.552 1.00 0.00 O ATOM 1056 CB SER A 64 6.159 2.566 3.208 1.00 0.00 C ATOM 1057 OG SER A 64 7.476 2.287 2.756 1.00 0.00 O ATOM 0 H SER A 64 5.659 0.067 3.461 1.00 0.00 H new ATOM 0 HA SER A 64 4.239 2.391 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.964 3.637 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.050 2.272 4.252 1.00 0.00 H new ATOM 0 HG SER A 64 8.085 2.986 3.072 1.00 0.00 H new ATOM 1063 N LEU A 65 5.912 2.622 0.181 1.00 0.00 N ATOM 1064 CA LEU A 65 6.434 2.413 -1.191 1.00 0.00 C ATOM 1065 C LEU A 65 7.909 2.043 -1.145 1.00 0.00 C ATOM 1066 O LEU A 65 8.327 1.123 -1.803 1.00 0.00 O ATOM 1067 CB LEU A 65 6.235 3.678 -2.013 1.00 0.00 C ATOM 1068 CG LEU A 65 4.781 3.742 -2.472 1.00 0.00 C ATOM 1069 CD1 LEU A 65 4.606 4.918 -3.414 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.412 2.457 -3.213 1.00 0.00 C ATOM 0 H LEU A 65 5.719 3.590 0.439 1.00 0.00 H new ATOM 0 HA LEU A 65 5.887 1.594 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.482 4.557 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.903 3.678 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 65 4.136 3.858 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.569 4.968 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.867 5.841 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.257 4.791 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.373 2.510 -3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.058 2.340 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.541 1.603 -2.548 1.00 0.00 H new ATOM 1082 N LEU A 66 8.709 2.722 -0.377 1.00 0.00 N ATOM 1083 CA LEU A 66 10.149 2.337 -0.336 1.00 0.00 C ATOM 1084 C LEU A 66 10.248 0.825 -0.120 1.00 0.00 C ATOM 1085 O LEU A 66 11.007 0.144 -0.780 1.00 0.00 O ATOM 1086 CB LEU A 66 10.850 3.056 0.830 1.00 0.00 C ATOM 1087 CG LEU A 66 11.531 4.378 0.400 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.384 4.644 -1.102 1.00 0.00 C ATOM 1089 CD2 LEU A 66 10.899 5.534 1.177 1.00 0.00 C ATOM 0 H LEU A 66 8.440 3.510 0.213 1.00 0.00 H new ATOM 0 HA LEU A 66 10.628 2.619 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.120 3.267 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.598 2.392 1.263 1.00 0.00 H new ATOM 0 HG LEU A 66 12.596 4.293 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.878 5.582 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.843 3.830 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.327 4.710 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.371 6.471 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.832 5.580 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.043 5.376 2.246 1.00 0.00 H new ATOM 1101 N GLU A 67 9.482 0.293 0.791 1.00 0.00 N ATOM 1102 CA GLU A 67 9.547 -1.181 1.041 1.00 0.00 C ATOM 1103 C GLU A 67 9.188 -1.926 -0.242 1.00 0.00 C ATOM 1104 O GLU A 67 9.745 -2.962 -0.538 1.00 0.00 O ATOM 1105 CB GLU A 67 8.568 -1.620 2.148 1.00 0.00 C ATOM 1106 CG GLU A 67 7.974 -0.417 2.882 1.00 0.00 C ATOM 1107 CD GLU A 67 9.094 0.367 3.572 1.00 0.00 C ATOM 1108 OE1 GLU A 67 9.448 0.003 4.682 1.00 0.00 O ATOM 1109 OE2 GLU A 67 9.578 1.318 2.981 1.00 0.00 O ATOM 0 H GLU A 67 8.818 0.806 1.371 1.00 0.00 H new ATOM 0 HA GLU A 67 10.562 -1.417 1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.765 -2.213 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.087 -2.262 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.446 0.227 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.243 -0.752 3.618 1.00 0.00 H new ATOM 1116 N VAL A 68 8.268 -1.412 -1.009 1.00 0.00 N ATOM 1117 CA VAL A 68 7.894 -2.111 -2.271 1.00 0.00 C ATOM 1118 C VAL A 68 8.570 -1.426 -3.468 1.00 0.00 C ATOM 1119 O VAL A 68 8.380 -1.815 -4.603 1.00 0.00 O ATOM 1120 CB VAL A 68 6.374 -2.108 -2.435 1.00 0.00 C ATOM 1121 CG1 VAL A 68 5.742 -2.920 -1.304 1.00 0.00 C ATOM 1122 CG2 VAL A 68 5.838 -0.681 -2.387 1.00 0.00 C ATOM 0 H VAL A 68 7.763 -0.546 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 68 8.236 -3.145 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 68 6.122 -2.550 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.658 -2.920 -1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.111 -3.945 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.006 -2.475 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.755 -0.695 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.093 -0.229 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.283 -0.098 -3.193 1.00 0.00 H new ATOM 1132 N LYS A 69 9.379 -0.428 -3.203 1.00 0.00 N ATOM 1133 CA LYS A 69 10.125 0.302 -4.277 1.00 0.00 C ATOM 1134 C LYS A 69 9.465 0.179 -5.661 1.00 0.00 C ATOM 1135 O LYS A 69 9.880 -0.612 -6.482 1.00 0.00 O ATOM 1136 CB LYS A 69 11.551 -0.263 -4.344 1.00 0.00 C ATOM 1137 CG LYS A 69 11.518 -1.768 -4.658 1.00 0.00 C ATOM 1138 CD LYS A 69 11.300 -2.575 -3.377 1.00 0.00 C ATOM 1139 CE LYS A 69 10.430 -3.797 -3.696 1.00 0.00 C ATOM 1140 NZ LYS A 69 9.997 -4.447 -2.427 1.00 0.00 N ATOM 0 H LYS A 69 9.558 -0.080 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 69 10.123 1.361 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.121 0.262 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.061 -0.094 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.720 -1.980 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.454 -2.068 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.258 -2.893 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.817 -1.957 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.559 -3.494 -4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.990 -4.505 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.988 -4.692 -2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.555 -5.311 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.145 -3.792 -1.633 1.00 0.00 H new ATOM 1207 N GLN A 73 9.647 4.550 -12.681 1.00 0.00 N ATOM 1208 CA GLN A 73 8.611 4.391 -13.742 1.00 0.00 C ATOM 1209 C GLN A 73 8.205 2.918 -13.822 1.00 0.00 C ATOM 1210 O GLN A 73 8.982 2.075 -14.224 1.00 0.00 O ATOM 1211 CB GLN A 73 9.185 4.841 -15.087 1.00 0.00 C ATOM 1212 CG GLN A 73 9.817 6.227 -14.935 1.00 0.00 C ATOM 1213 CD GLN A 73 10.002 6.860 -16.315 1.00 0.00 C ATOM 1214 OE1 GLN A 73 9.435 6.402 -17.288 1.00 0.00 O ATOM 1215 NE2 GLN A 73 10.778 7.902 -16.442 1.00 0.00 N ATOM 0 HA GLN A 73 7.739 5.000 -13.504 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.931 4.126 -15.434 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.397 4.870 -15.839 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.183 6.861 -14.315 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.779 6.146 -14.429 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.254 8.286 -15.626 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.909 8.332 -17.358 1.00 0.00 H new ATOM 1224 N GLU A 74 7.000 2.592 -13.435 1.00 0.00 N ATOM 1225 CA GLU A 74 6.577 1.157 -13.487 1.00 0.00 C ATOM 1226 C GLU A 74 5.142 1.028 -14.007 1.00 0.00 C ATOM 1227 O GLU A 74 4.305 1.872 -13.773 1.00 0.00 O ATOM 1228 CB GLU A 74 6.657 0.552 -12.084 1.00 0.00 C ATOM 1229 CG GLU A 74 8.117 0.485 -11.639 1.00 0.00 C ATOM 1230 CD GLU A 74 8.250 -0.503 -10.479 1.00 0.00 C ATOM 1231 OE1 GLU A 74 7.373 -0.514 -9.632 1.00 0.00 O ATOM 1232 OE2 GLU A 74 9.226 -1.235 -10.460 1.00 0.00 O ATOM 0 H GLU A 74 6.297 3.245 -13.089 1.00 0.00 H new ATOM 0 HA GLU A 74 7.244 0.626 -14.166 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.080 1.155 -11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.219 -0.446 -12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.748 0.173 -12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.460 1.473 -11.331 1.00 0.00 H new ATOM 1239 N THR A 75 4.850 -0.040 -14.700 1.00 0.00 N ATOM 1240 CA THR A 75 3.467 -0.237 -15.221 1.00 0.00 C ATOM 1241 C THR A 75 2.785 -1.349 -14.417 1.00 0.00 C ATOM 1242 O THR A 75 3.349 -2.401 -14.194 1.00 0.00 O ATOM 1243 CB THR A 75 3.524 -0.634 -16.698 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.339 0.292 -17.404 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.111 -0.622 -17.284 1.00 0.00 C ATOM 0 H THR A 75 5.509 -0.784 -14.928 1.00 0.00 H new ATOM 0 HA THR A 75 2.902 0.690 -15.122 1.00 0.00 H new ATOM 0 HB THR A 75 3.946 -1.635 -16.791 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.378 0.038 -18.350 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.151 -0.905 -18.336 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.486 -1.331 -16.741 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.688 0.378 -17.193 1.00 0.00 H new ATOM 1253 N LEU A 76 1.580 -1.120 -13.970 1.00 0.00 N ATOM 1254 CA LEU A 76 0.869 -2.160 -13.170 1.00 0.00 C ATOM 1255 C LEU A 76 -0.432 -2.554 -13.874 1.00 0.00 C ATOM 1256 O LEU A 76 -0.900 -1.869 -14.757 1.00 0.00 O ATOM 1257 CB LEU A 76 0.547 -1.599 -11.788 1.00 0.00 C ATOM 1258 CG LEU A 76 1.426 -2.272 -10.738 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.799 -1.258 -9.661 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.655 -3.417 -10.089 1.00 0.00 C ATOM 0 H LEU A 76 1.057 -0.258 -14.124 1.00 0.00 H new ATOM 0 HA LEU A 76 1.506 -3.039 -13.072 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.711 -0.521 -11.776 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.505 -1.764 -11.555 1.00 0.00 H new ATOM 0 HG LEU A 76 2.328 -2.655 -11.216 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.427 -1.738 -8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.344 -0.430 -10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.893 -0.880 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.282 -3.899 -9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.245 -3.026 -9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.376 -4.145 -10.850 1.00 0.00 H new ATOM 1272 N PHE A 77 -1.020 -3.657 -13.494 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.290 -4.087 -14.148 1.00 0.00 C ATOM 1274 C PHE A 77 -3.406 -4.188 -13.099 1.00 0.00 C ATOM 1275 O PHE A 77 -3.183 -4.609 -11.985 1.00 0.00 O ATOM 1276 CB PHE A 77 -2.077 -5.453 -14.804 1.00 0.00 C ATOM 1277 CG PHE A 77 -1.546 -5.265 -16.204 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -2.284 -4.531 -17.142 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.316 -5.827 -16.568 1.00 0.00 C ATOM 1280 CE1 PHE A 77 -1.792 -4.360 -18.442 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.176 -5.655 -17.867 1.00 0.00 C ATOM 1282 CZ PHE A 77 -0.562 -4.922 -18.804 1.00 0.00 C ATOM 0 H PHE A 77 -0.677 -4.277 -12.761 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.577 -3.356 -14.904 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.377 -6.045 -14.215 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.017 -6.005 -14.832 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.233 -4.097 -16.862 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.253 -6.393 -15.846 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.361 -3.795 -19.165 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.125 -6.088 -18.147 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.182 -4.790 -19.806 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.608 -3.811 -13.447 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.731 -3.894 -12.468 1.00 0.00 C ATOM 1294 C LEU A 78 -6.318 -5.306 -12.510 1.00 0.00 C ATOM 1295 O LEU A 78 -6.623 -5.827 -13.566 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.811 -2.877 -12.850 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.378 -2.206 -11.595 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.393 -0.691 -11.797 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.811 -2.684 -11.354 1.00 0.00 C ATOM 0 H LEU A 78 -4.860 -3.449 -14.367 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.369 -3.675 -11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.391 -2.123 -13.515 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.611 -3.375 -13.398 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.756 -2.466 -10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.796 -0.209 -10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.377 -0.337 -11.973 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.017 -0.445 -12.656 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.209 -2.204 -10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.430 -2.424 -12.212 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.816 -3.765 -11.217 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.470 -5.936 -11.379 1.00 0.00 N ATOM 1312 CA GLU A 79 -7.027 -7.320 -11.375 1.00 0.00 C ATOM 1313 C GLU A 79 -7.942 -7.514 -10.164 1.00 0.00 C ATOM 1314 O GLU A 79 -7.862 -6.793 -9.190 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.878 -8.329 -11.308 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.796 -9.098 -12.627 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.350 -9.533 -12.875 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -3.865 -10.364 -12.125 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -3.751 -9.026 -13.810 1.00 0.00 O ATOM 0 H GLU A 79 -6.235 -5.557 -10.462 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.603 -7.475 -12.287 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.937 -7.813 -11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.036 -9.021 -10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.449 -9.970 -12.593 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.144 -8.471 -13.448 1.00 0.00 H new