USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl 140:sc= -1.59 (180deg=-2.56!) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 1.61 (180deg=1.32) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot -70:sc= -0.338 USER MOD Single : A 38 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=-0.15) USER MOD Single : A 41 MET CE :methyl -118:sc= -0.295 (180deg=-1.64) USER MOD Single : A 44 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.3) USER MOD Single : A 45 GLN : amide:sc= -0.302 K(o=-0.3,f=-3.7!) USER MOD Single : A 49 HIS :FLIP no HE2:sc= -1.84 F(o=-3.3!,f=-1.8) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.745 K(o=-0.75,f=-6.4!) USER MOD Single : A 60 GLN : amide:sc= -0.0287 K(o=-0.029,f=-0.81) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -2.48 F(o=-3.1!,f=-2.5) USER MOD Single : A 75 ASN : amide:sc= -5.47! C(o=-5.5!,f=-6.3!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.439 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 1.05 (180deg=0.562) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.308 -9.810 -9.173 1.00 0.00 N ATOM 60 CA GLY A 7 -0.735 -8.924 -8.689 1.00 0.00 C ATOM 61 C GLY A 7 -0.710 -7.571 -9.373 1.00 0.00 C ATOM 62 O GLY A 7 -1.143 -7.438 -10.517 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.707 -9.391 -8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.621 -8.786 -7.614 1.00 0.00 H new ATOM 66 N ARG A 8 -0.203 -6.564 -8.669 1.00 0.00 N ATOM 67 CA ARG A 8 -0.126 -5.214 -9.214 1.00 0.00 C ATOM 68 C ARG A 8 1.179 -4.537 -8.806 1.00 0.00 C ATOM 69 O ARG A 8 1.343 -4.121 -7.660 1.00 0.00 O ATOM 70 CB ARG A 8 -1.316 -4.380 -8.736 1.00 0.00 C ATOM 71 CG ARG A 8 -1.159 -2.890 -8.995 1.00 0.00 C ATOM 72 CD ARG A 8 -2.465 -2.145 -8.769 1.00 0.00 C ATOM 73 NE ARG A 8 -2.491 -0.862 -9.467 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.523 -0.026 -9.430 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.606 -0.335 -8.730 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.472 1.122 -10.092 1.00 0.00 N ATOM 0 H ARG A 8 0.160 -6.658 -7.721 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.154 -5.286 -10.301 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.219 -4.733 -9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.456 -4.542 -7.667 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.389 -2.485 -8.338 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.821 -2.731 -10.019 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.297 -2.760 -9.111 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.608 -1.980 -7.701 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.672 -0.593 -10.013 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.648 -1.216 -8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.397 0.309 -8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.640 1.364 -10.630 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.265 1.763 -10.063 1.00 0.00 H new ATOM 90 N MET A 9 2.105 -4.430 -9.754 1.00 0.00 N ATOM 91 CA MET A 9 3.396 -3.802 -9.493 1.00 0.00 C ATOM 92 C MET A 9 3.284 -2.282 -9.555 1.00 0.00 C ATOM 93 O MET A 9 3.131 -1.705 -10.632 1.00 0.00 O ATOM 94 CB MET A 9 4.437 -4.290 -10.502 1.00 0.00 C ATOM 95 CG MET A 9 5.030 -5.647 -10.156 1.00 0.00 C ATOM 96 SD MET A 9 3.864 -6.999 -10.407 1.00 0.00 S ATOM 97 CE MET A 9 3.436 -7.396 -8.714 1.00 0.00 C ATOM 0 H MET A 9 1.986 -4.769 -10.708 1.00 0.00 H new ATOM 0 HA MET A 9 3.713 -4.084 -8.489 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.977 -4.345 -11.489 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.241 -3.557 -10.565 1.00 0.00 H new ATOM 0 HG2 MET A 9 5.916 -5.818 -10.767 1.00 0.00 H new ATOM 0 HG3 MET A 9 5.356 -5.642 -9.116 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.369 -7.611 -8.649 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.002 -8.270 -8.391 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.676 -6.550 -8.070 1.00 0.00 H new ATOM 107 N VAL A 10 3.360 -1.640 -8.394 1.00 0.00 N ATOM 108 CA VAL A 10 3.268 -0.187 -8.317 1.00 0.00 C ATOM 109 C VAL A 10 4.652 0.449 -8.259 1.00 0.00 C ATOM 110 O VAL A 10 5.380 0.290 -7.280 1.00 0.00 O ATOM 111 CB VAL A 10 2.458 0.260 -7.086 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.423 1.777 -6.991 1.00 0.00 C ATOM 113 CG2 VAL A 10 1.049 -0.312 -7.139 1.00 0.00 C ATOM 0 H VAL A 10 3.485 -2.103 -7.494 1.00 0.00 H new ATOM 0 HA VAL A 10 2.756 0.146 -9.220 1.00 0.00 H new ATOM 0 HB VAL A 10 2.948 -0.124 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.846 2.073 -6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.440 2.160 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.958 2.187 -7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.491 0.014 -6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.547 0.040 -8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.099 -1.401 -7.154 1.00 0.00 H new ATOM 123 N GLY A 11 5.010 1.171 -9.317 1.00 0.00 N ATOM 124 CA GLY A 11 6.307 1.822 -9.366 1.00 0.00 C ATOM 125 C GLY A 11 6.293 3.193 -8.720 1.00 0.00 C ATOM 126 O GLY A 11 5.506 4.059 -9.103 1.00 0.00 O ATOM 0 H GLY A 11 4.426 1.317 -10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.044 1.195 -8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.623 1.917 -10.405 1.00 0.00 H new ATOM 130 N ILE A 12 7.164 3.390 -7.736 1.00 0.00 N ATOM 131 CA ILE A 12 7.248 4.665 -7.035 1.00 0.00 C ATOM 132 C ILE A 12 8.669 5.217 -7.067 1.00 0.00 C ATOM 133 O ILE A 12 9.636 4.483 -6.864 1.00 0.00 O ATOM 134 CB ILE A 12 6.794 4.533 -5.570 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.382 3.946 -5.501 1.00 0.00 C ATOM 136 CG2 ILE A 12 6.845 5.885 -4.875 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.050 3.325 -4.163 1.00 0.00 C ATOM 0 H ILE A 12 7.821 2.683 -7.406 1.00 0.00 H new ATOM 0 HA ILE A 12 6.581 5.354 -7.553 1.00 0.00 H new ATOM 0 HB ILE A 12 7.475 3.855 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.659 4.733 -5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.273 3.191 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.521 5.775 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.866 6.267 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.185 6.584 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.034 2.930 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.749 2.516 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.126 4.081 -3.382 1.00 0.00 H new ATOM 149 N ARG A 13 8.787 6.517 -7.322 1.00 0.00 N ATOM 150 CA ARG A 13 10.090 7.168 -7.380 1.00 0.00 C ATOM 151 C ARG A 13 10.406 7.870 -6.062 1.00 0.00 C ATOM 152 O ARG A 13 10.931 8.984 -6.050 1.00 0.00 O ATOM 153 CB ARG A 13 10.129 8.176 -8.530 1.00 0.00 C ATOM 154 CG ARG A 13 11.527 8.679 -8.852 1.00 0.00 C ATOM 155 CD ARG A 13 11.484 9.989 -9.623 1.00 0.00 C ATOM 156 NE ARG A 13 10.886 9.826 -10.946 1.00 0.00 N ATOM 157 CZ ARG A 13 10.353 10.825 -11.639 1.00 0.00 C ATOM 158 NH1 ARG A 13 10.344 12.053 -11.139 1.00 0.00 N ATOM 159 NH2 ARG A 13 9.828 10.598 -12.836 1.00 0.00 N ATOM 0 H ARG A 13 7.996 7.139 -7.491 1.00 0.00 H new ATOM 0 HA ARG A 13 10.845 6.401 -7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.704 7.714 -9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.495 9.026 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.087 8.818 -7.927 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.059 7.929 -9.437 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.914 10.725 -9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.496 10.381 -9.728 1.00 0.00 H new ATOM 0 HE ARG A 13 10.878 8.894 -11.360 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.747 12.232 -10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.934 12.818 -11.674 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.834 9.655 -13.225 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.419 11.366 -13.367 1.00 0.00 H new ATOM 173 N LYS A 14 10.082 7.212 -4.955 1.00 0.00 N ATOM 174 CA LYS A 14 10.331 7.771 -3.631 1.00 0.00 C ATOM 175 C LYS A 14 11.810 7.674 -3.269 1.00 0.00 C ATOM 176 O LYS A 14 12.516 6.778 -3.732 1.00 0.00 O ATOM 177 CB LYS A 14 9.489 7.043 -2.581 1.00 0.00 C ATOM 178 CG LYS A 14 10.049 5.688 -2.186 1.00 0.00 C ATOM 179 CD LYS A 14 9.487 5.219 -0.854 1.00 0.00 C ATOM 180 CE LYS A 14 10.075 6.006 0.307 1.00 0.00 C ATOM 181 NZ LYS A 14 11.298 5.358 0.855 1.00 0.00 N ATOM 0 H LYS A 14 9.646 6.290 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 14 10.048 8.823 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.412 7.668 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.478 6.911 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.813 4.957 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.136 5.747 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.402 5.328 -0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.700 4.158 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.317 7.016 -0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.329 6.100 1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.790 6.022 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.030 4.507 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.930 5.092 0.073 1.00 0.00 H new ATOM 195 N THR A 15 12.273 8.603 -2.438 1.00 0.00 N ATOM 196 CA THR A 15 13.667 8.622 -2.013 1.00 0.00 C ATOM 197 C THR A 15 13.807 8.167 -0.565 1.00 0.00 C ATOM 198 O THR A 15 12.929 8.414 0.261 1.00 0.00 O ATOM 199 CB THR A 15 14.280 10.027 -2.160 1.00 0.00 C ATOM 200 OG1 THR A 15 14.215 10.450 -3.527 1.00 0.00 O ATOM 201 CG2 THR A 15 15.726 10.039 -1.687 1.00 0.00 C ATOM 0 H THR A 15 11.702 9.352 -2.046 1.00 0.00 H new ATOM 0 HA THR A 15 14.204 7.930 -2.661 1.00 0.00 H new ATOM 0 HB THR A 15 13.706 10.716 -1.540 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.605 11.345 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.138 11.042 -1.800 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.768 9.746 -0.638 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.310 9.338 -2.283 1.00 0.00 H new ATOM 209 N ALA A 16 14.918 7.502 -0.263 1.00 0.00 N ATOM 210 CA ALA A 16 15.174 7.015 1.087 1.00 0.00 C ATOM 211 C ALA A 16 14.880 8.094 2.124 1.00 0.00 C ATOM 212 O ALA A 16 15.148 9.274 1.900 1.00 0.00 O ATOM 213 CB ALA A 16 16.613 6.538 1.211 1.00 0.00 C ATOM 0 H ALA A 16 15.655 7.288 -0.935 1.00 0.00 H new ATOM 0 HA ALA A 16 14.507 6.174 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 16 16.791 6.177 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.791 5.730 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.290 7.365 0.997 1.00 0.00 H new ATOM 219 N GLY A 17 14.327 7.681 3.260 1.00 0.00 N ATOM 220 CA GLY A 17 14.005 8.625 4.315 1.00 0.00 C ATOM 221 C GLY A 17 12.533 8.986 4.340 1.00 0.00 C ATOM 222 O GLY A 17 11.820 8.643 5.282 1.00 0.00 O ATOM 0 H GLY A 17 14.096 6.710 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.288 8.200 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.596 9.531 4.181 1.00 0.00 H new ATOM 226 N GLU A 18 12.078 9.682 3.303 1.00 0.00 N ATOM 227 CA GLU A 18 10.682 10.092 3.212 1.00 0.00 C ATOM 228 C GLU A 18 9.753 8.961 3.645 1.00 0.00 C ATOM 229 O GLU A 18 9.748 7.884 3.048 1.00 0.00 O ATOM 230 CB GLU A 18 10.345 10.524 1.783 1.00 0.00 C ATOM 231 CG GLU A 18 10.880 11.899 1.421 1.00 0.00 C ATOM 232 CD GLU A 18 10.109 13.020 2.091 1.00 0.00 C ATOM 233 OE1 GLU A 18 8.876 12.886 2.239 1.00 0.00 O ATOM 234 OE2 GLU A 18 10.738 14.031 2.466 1.00 0.00 O ATOM 0 H GLU A 18 12.656 9.974 2.515 1.00 0.00 H new ATOM 0 HA GLU A 18 10.535 10.938 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.750 9.791 1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.262 10.520 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.930 11.963 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.836 12.029 0.340 1.00 0.00 H new ATOM 241 N HIS A 19 8.969 9.213 4.688 1.00 0.00 N ATOM 242 CA HIS A 19 8.036 8.217 5.202 1.00 0.00 C ATOM 243 C HIS A 19 6.693 8.308 4.484 1.00 0.00 C ATOM 244 O HIS A 19 6.018 9.338 4.535 1.00 0.00 O ATOM 245 CB HIS A 19 7.836 8.402 6.706 1.00 0.00 C ATOM 246 CG HIS A 19 7.514 7.130 7.429 1.00 0.00 C ATOM 247 ND1 HIS A 19 8.476 6.229 7.832 1.00 0.00 N ATOM 248 CD2 HIS A 19 6.326 6.612 7.822 1.00 0.00 C ATOM 249 CE1 HIS A 19 7.895 5.211 8.441 1.00 0.00 C ATOM 250 NE2 HIS A 19 6.590 5.419 8.448 1.00 0.00 N ATOM 0 H HIS A 19 8.961 10.099 5.194 1.00 0.00 H new ATOM 0 HA HIS A 19 8.460 7.230 5.018 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.740 8.834 7.134 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.031 9.118 6.872 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.353 7.055 7.671 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.401 4.354 8.862 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.892 4.795 8.853 1.00 0.00 H new ATOM 259 N LEU A 20 6.311 7.227 3.813 1.00 0.00 N ATOM 260 CA LEU A 20 5.049 7.185 3.083 1.00 0.00 C ATOM 261 C LEU A 20 3.886 7.590 3.983 1.00 0.00 C ATOM 262 O LEU A 20 3.070 8.436 3.618 1.00 0.00 O ATOM 263 CB LEU A 20 4.808 5.783 2.521 1.00 0.00 C ATOM 264 CG LEU A 20 5.614 5.413 1.275 1.00 0.00 C ATOM 265 CD1 LEU A 20 7.005 4.934 1.662 1.00 0.00 C ATOM 266 CD2 LEU A 20 4.887 4.348 0.467 1.00 0.00 C ATOM 0 H LEU A 20 6.858 6.367 3.759 1.00 0.00 H new ATOM 0 HA LEU A 20 5.111 7.895 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.031 5.057 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.748 5.684 2.287 1.00 0.00 H new ATOM 0 HG LEU A 20 5.718 6.303 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.564 4.675 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.527 5.727 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.922 4.056 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.475 4.097 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.752 3.456 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.913 4.727 0.158 1.00 0.00 H new ATOM 278 N GLY A 21 3.817 6.982 5.164 1.00 0.00 N ATOM 279 CA GLY A 21 2.752 7.294 6.098 1.00 0.00 C ATOM 280 C GLY A 21 1.570 6.354 5.965 1.00 0.00 C ATOM 281 O GLY A 21 0.518 6.737 5.453 1.00 0.00 O ATOM 0 H GLY A 21 4.480 6.279 5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.139 7.244 7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.418 8.318 5.934 1.00 0.00 H new ATOM 285 N VAL A 22 1.742 5.119 6.426 1.00 0.00 N ATOM 286 CA VAL A 22 0.682 4.122 6.356 1.00 0.00 C ATOM 287 C VAL A 22 0.794 3.118 7.498 1.00 0.00 C ATOM 288 O VAL A 22 1.795 3.085 8.214 1.00 0.00 O ATOM 289 CB VAL A 22 0.713 3.363 5.015 1.00 0.00 C ATOM 290 CG1 VAL A 22 0.381 4.300 3.864 1.00 0.00 C ATOM 291 CG2 VAL A 22 2.069 2.707 4.806 1.00 0.00 C ATOM 0 H VAL A 22 2.607 4.786 6.852 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.263 4.659 6.440 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.043 2.579 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.408 3.747 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.615 4.718 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.112 5.108 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.073 2.175 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.846 3.472 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.261 2.003 5.616 1.00 0.00 H new ATOM 301 N THR A 23 -0.240 2.299 7.663 1.00 0.00 N ATOM 302 CA THR A 23 -0.258 1.294 8.718 1.00 0.00 C ATOM 303 C THR A 23 -0.863 -0.014 8.222 1.00 0.00 C ATOM 304 O THR A 23 -2.025 -0.057 7.815 1.00 0.00 O ATOM 305 CB THR A 23 -1.054 1.782 9.944 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.350 2.235 9.539 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.316 2.907 10.655 1.00 0.00 C ATOM 0 H THR A 23 -1.076 2.312 7.079 1.00 0.00 H new ATOM 0 HA THR A 23 0.778 1.124 9.010 1.00 0.00 H new ATOM 0 HB THR A 23 -1.163 0.946 10.635 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.262 3.070 9.034 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.897 3.235 11.517 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.658 2.549 10.989 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.180 3.743 9.969 1.00 0.00 H new ATOM 315 N PHE A 24 -0.070 -1.079 8.259 1.00 0.00 N ATOM 316 CA PHE A 24 -0.528 -2.389 7.812 1.00 0.00 C ATOM 317 C PHE A 24 -0.921 -3.262 9.000 1.00 0.00 C ATOM 318 O PHE A 24 -0.459 -3.049 10.121 1.00 0.00 O ATOM 319 CB PHE A 24 0.564 -3.083 6.994 1.00 0.00 C ATOM 320 CG PHE A 24 1.104 -2.237 5.876 1.00 0.00 C ATOM 321 CD1 PHE A 24 0.432 -2.151 4.668 1.00 0.00 C ATOM 322 CD2 PHE A 24 2.284 -1.528 6.035 1.00 0.00 C ATOM 323 CE1 PHE A 24 0.928 -1.375 3.638 1.00 0.00 C ATOM 324 CE2 PHE A 24 2.784 -0.749 5.008 1.00 0.00 C ATOM 325 CZ PHE A 24 2.105 -0.672 3.808 1.00 0.00 C ATOM 0 H PHE A 24 0.893 -1.061 8.594 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.407 -2.244 7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.383 -3.360 7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.163 -4.008 6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.490 -2.696 4.530 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.819 -1.585 6.971 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.396 -1.318 2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.705 -0.201 5.144 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.493 -0.064 3.004 1.00 0.00 H new ATOM 335 N ARG A 25 -1.778 -4.246 8.746 1.00 0.00 N ATOM 336 CA ARG A 25 -2.235 -5.150 9.793 1.00 0.00 C ATOM 337 C ARG A 25 -2.231 -6.596 9.304 1.00 0.00 C ATOM 338 O ARG A 25 -2.453 -6.863 8.123 1.00 0.00 O ATOM 339 CB ARG A 25 -3.641 -4.761 10.255 1.00 0.00 C ATOM 340 CG ARG A 25 -4.750 -5.440 9.468 1.00 0.00 C ATOM 341 CD ARG A 25 -6.111 -4.850 9.801 1.00 0.00 C ATOM 342 NE ARG A 25 -6.600 -5.301 11.102 1.00 0.00 N ATOM 343 CZ ARG A 25 -7.749 -4.901 11.634 1.00 0.00 C ATOM 344 NH1 ARG A 25 -8.525 -4.047 10.980 1.00 0.00 N ATOM 345 NH2 ARG A 25 -8.125 -5.356 12.822 1.00 0.00 N ATOM 0 H ARG A 25 -2.169 -4.437 7.824 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.547 -5.067 10.635 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.750 -5.012 11.310 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.756 -3.680 10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.558 -5.334 8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.752 -6.508 9.687 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.046 -3.762 9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.826 -5.130 9.028 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.027 -5.959 11.630 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.240 -3.696 10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.407 -3.742 11.391 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.531 -6.014 13.328 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.008 -5.048 13.230 1.00 0.00 H new ATOM 359 N VAL A 26 -1.976 -7.525 10.220 1.00 0.00 N ATOM 360 CA VAL A 26 -1.943 -8.943 9.883 1.00 0.00 C ATOM 361 C VAL A 26 -3.289 -9.604 10.157 1.00 0.00 C ATOM 362 O VAL A 26 -3.767 -9.614 11.291 1.00 0.00 O ATOM 363 CB VAL A 26 -0.849 -9.683 10.675 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.621 -11.072 10.100 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.442 -8.879 10.677 1.00 0.00 C ATOM 0 H VAL A 26 -1.789 -7.321 11.202 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.718 -9.010 8.819 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.183 -9.794 11.707 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.155 -11.580 10.672 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.546 -11.645 10.156 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.308 -10.988 9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.204 -9.416 11.241 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.783 -8.735 9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.265 -7.908 11.140 1.00 0.00 H new ATOM 375 N GLU A 27 -3.895 -10.156 9.111 1.00 0.00 N ATOM 376 CA GLU A 27 -5.187 -10.820 9.240 1.00 0.00 C ATOM 377 C GLU A 27 -5.033 -12.335 9.134 1.00 0.00 C ATOM 378 O GLU A 27 -5.150 -13.052 10.127 1.00 0.00 O ATOM 379 CB GLU A 27 -6.153 -10.319 8.164 1.00 0.00 C ATOM 380 CG GLU A 27 -6.442 -8.830 8.252 1.00 0.00 C ATOM 381 CD GLU A 27 -7.744 -8.447 7.574 1.00 0.00 C ATOM 382 OE1 GLU A 27 -8.816 -8.757 8.134 1.00 0.00 O ATOM 383 OE2 GLU A 27 -7.690 -7.839 6.485 1.00 0.00 O ATOM 0 H GLU A 27 -3.513 -10.157 8.165 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.593 -10.581 10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.737 -10.542 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.091 -10.868 8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.481 -8.533 9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.622 -8.277 7.794 1.00 0.00 H new ATOM 390 N GLY A 28 -4.771 -12.815 7.923 1.00 0.00 N ATOM 391 CA GLY A 28 -4.606 -14.240 7.709 1.00 0.00 C ATOM 392 C GLY A 28 -3.325 -14.572 6.968 1.00 0.00 C ATOM 393 O GLY A 28 -3.346 -15.288 5.968 1.00 0.00 O ATOM 0 H GLY A 28 -4.670 -12.242 7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.608 -14.751 8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.457 -14.620 7.144 1.00 0.00 H new ATOM 397 N GLY A 29 -2.207 -14.047 7.459 1.00 0.00 N ATOM 398 CA GLY A 29 -0.927 -14.301 6.824 1.00 0.00 C ATOM 399 C GLY A 29 -0.544 -13.215 5.838 1.00 0.00 C ATOM 400 O GLY A 29 0.588 -13.177 5.358 1.00 0.00 O ATOM 0 H GLY A 29 -2.165 -13.450 8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.155 -14.382 7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.965 -15.260 6.307 1.00 0.00 H new ATOM 404 N GLU A 30 -1.490 -12.332 5.535 1.00 0.00 N ATOM 405 CA GLU A 30 -1.245 -11.242 4.598 1.00 0.00 C ATOM 406 C GLU A 30 -1.242 -9.896 5.317 1.00 0.00 C ATOM 407 O GLU A 30 -1.628 -9.802 6.483 1.00 0.00 O ATOM 408 CB GLU A 30 -2.305 -11.240 3.495 1.00 0.00 C ATOM 409 CG GLU A 30 -2.329 -12.518 2.672 1.00 0.00 C ATOM 410 CD GLU A 30 -1.360 -12.479 1.506 1.00 0.00 C ATOM 411 OE1 GLU A 30 -1.391 -11.491 0.742 1.00 0.00 O ATOM 412 OE2 GLU A 30 -0.571 -13.435 1.358 1.00 0.00 O ATOM 0 H GLU A 30 -2.433 -12.350 5.924 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.264 -11.397 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.286 -11.089 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.126 -10.394 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.085 -13.364 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.338 -12.684 2.295 1.00 0.00 H new ATOM 419 N LEU A 31 -0.804 -8.858 4.615 1.00 0.00 N ATOM 420 CA LEU A 31 -0.749 -7.516 5.185 1.00 0.00 C ATOM 421 C LEU A 31 -1.719 -6.581 4.470 1.00 0.00 C ATOM 422 O LEU A 31 -1.670 -6.433 3.249 1.00 0.00 O ATOM 423 CB LEU A 31 0.673 -6.960 5.096 1.00 0.00 C ATOM 424 CG LEU A 31 1.605 -7.311 6.256 1.00 0.00 C ATOM 425 CD1 LEU A 31 3.046 -6.977 5.903 1.00 0.00 C ATOM 426 CD2 LEU A 31 1.180 -6.580 7.521 1.00 0.00 C ATOM 0 H LEU A 31 -0.481 -8.919 3.649 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.041 -7.581 6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.125 -7.320 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.613 -5.874 5.020 1.00 0.00 H new ATOM 0 HG LEU A 31 1.537 -8.383 6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.695 -7.234 6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.347 -7.546 5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.131 -5.911 5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.854 -6.842 8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.218 -5.504 7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.163 -6.870 7.784 1.00 0.00 H new ATOM 438 N VAL A 32 -2.600 -5.949 5.240 1.00 0.00 N ATOM 439 CA VAL A 32 -3.580 -5.025 4.681 1.00 0.00 C ATOM 440 C VAL A 32 -3.405 -3.624 5.257 1.00 0.00 C ATOM 441 O VAL A 32 -3.253 -3.455 6.467 1.00 0.00 O ATOM 442 CB VAL A 32 -5.019 -5.503 4.949 1.00 0.00 C ATOM 443 CG1 VAL A 32 -6.019 -4.629 4.207 1.00 0.00 C ATOM 444 CG2 VAL A 32 -5.178 -6.963 4.553 1.00 0.00 C ATOM 0 H VAL A 32 -2.655 -6.060 6.252 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.410 -4.996 3.605 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.219 -5.416 6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.030 -4.982 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.921 -3.597 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.823 -4.681 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.201 -7.284 4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.959 -7.078 3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.488 -7.575 5.134 1.00 0.00 H new ATOM 454 N ILE A 33 -3.428 -2.624 4.383 1.00 0.00 N ATOM 455 CA ILE A 33 -3.274 -1.237 4.805 1.00 0.00 C ATOM 456 C ILE A 33 -4.420 -0.810 5.716 1.00 0.00 C ATOM 457 O ILE A 33 -5.459 -0.345 5.248 1.00 0.00 O ATOM 458 CB ILE A 33 -3.211 -0.284 3.597 1.00 0.00 C ATOM 459 CG1 ILE A 33 -1.855 -0.400 2.899 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.466 1.149 4.039 1.00 0.00 C ATOM 461 CD1 ILE A 33 -1.721 0.495 1.687 1.00 0.00 C ATOM 0 H ILE A 33 -3.552 -2.748 3.378 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.334 -1.177 5.354 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.988 -0.568 2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.067 -0.155 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.699 -1.435 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.418 1.811 3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.454 1.219 4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.709 1.446 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.735 0.361 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.487 0.235 0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.845 1.535 1.988 1.00 0.00 H new ATOM 473 N ALA A 34 -4.222 -0.969 7.021 1.00 0.00 N ATOM 474 CA ALA A 34 -5.236 -0.596 7.999 1.00 0.00 C ATOM 475 C ALA A 34 -5.650 0.862 7.831 1.00 0.00 C ATOM 476 O ALA A 34 -6.834 1.169 7.689 1.00 0.00 O ATOM 477 CB ALA A 34 -4.725 -0.842 9.410 1.00 0.00 C ATOM 0 H ALA A 34 -3.368 -1.354 7.425 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.115 -1.218 7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.493 -0.559 10.130 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.486 -1.899 9.531 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.829 -0.245 9.582 1.00 0.00 H new ATOM 483 N ARG A 35 -4.668 1.757 7.849 1.00 0.00 N ATOM 484 CA ARG A 35 -4.931 3.184 7.701 1.00 0.00 C ATOM 485 C ARG A 35 -3.828 3.859 6.892 1.00 0.00 C ATOM 486 O ARG A 35 -2.709 3.353 6.807 1.00 0.00 O ATOM 487 CB ARG A 35 -5.050 3.847 9.075 1.00 0.00 C ATOM 488 CG ARG A 35 -4.716 5.330 9.065 1.00 0.00 C ATOM 489 CD ARG A 35 -4.938 5.960 10.431 1.00 0.00 C ATOM 490 NE ARG A 35 -6.356 6.043 10.771 1.00 0.00 N ATOM 491 CZ ARG A 35 -6.846 6.875 11.683 1.00 0.00 C ATOM 492 NH1 ARG A 35 -6.036 7.691 12.344 1.00 0.00 N ATOM 493 NH2 ARG A 35 -8.148 6.893 11.937 1.00 0.00 N ATOM 0 H ARG A 35 -3.683 1.520 7.965 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.873 3.301 7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.066 3.714 9.447 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.386 3.338 9.774 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.678 5.468 8.764 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.333 5.838 8.324 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.417 5.375 11.189 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.503 6.959 10.445 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.006 5.428 10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.034 7.681 12.152 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.415 8.329 13.044 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.775 6.267 11.431 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.522 7.533 12.638 1.00 0.00 H new ATOM 507 N ILE A 36 -4.152 5.003 6.299 1.00 0.00 N ATOM 508 CA ILE A 36 -3.189 5.747 5.497 1.00 0.00 C ATOM 509 C ILE A 36 -3.126 7.208 5.929 1.00 0.00 C ATOM 510 O ILE A 36 -4.106 7.945 5.812 1.00 0.00 O ATOM 511 CB ILE A 36 -3.534 5.682 3.998 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.389 4.249 3.481 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.644 6.629 3.207 1.00 0.00 C ATOM 514 CD1 ILE A 36 -3.954 4.048 2.092 1.00 0.00 C ATOM 0 H ILE A 36 -5.074 5.435 6.359 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.217 5.280 5.658 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.570 5.993 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.333 3.977 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.891 3.570 4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.901 6.571 2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.793 7.649 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.600 6.346 3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.817 3.010 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.017 4.288 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.436 4.702 1.390 1.00 0.00 H new ATOM 526 N LEU A 37 -1.966 7.622 6.428 1.00 0.00 N ATOM 527 CA LEU A 37 -1.773 8.997 6.877 1.00 0.00 C ATOM 528 C LEU A 37 -2.048 9.982 5.746 1.00 0.00 C ATOM 529 O LEU A 37 -1.169 10.272 4.934 1.00 0.00 O ATOM 530 CB LEU A 37 -0.349 9.188 7.401 1.00 0.00 C ATOM 531 CG LEU A 37 -0.122 8.839 8.872 1.00 0.00 C ATOM 532 CD1 LEU A 37 -0.932 9.761 9.771 1.00 0.00 C ATOM 533 CD2 LEU A 37 -0.481 7.384 9.136 1.00 0.00 C ATOM 0 H LEU A 37 -1.145 7.025 6.532 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.479 9.193 7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.324 8.580 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.063 10.229 7.247 1.00 0.00 H new ATOM 0 HG LEU A 37 0.935 8.979 9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.758 9.497 10.814 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.627 10.794 9.602 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.992 9.653 9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.313 7.153 10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.530 7.218 8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.143 6.738 8.519 1.00 0.00 H new ATOM 545 N HIS A 38 -3.273 10.496 5.700 1.00 0.00 N ATOM 546 CA HIS A 38 -3.663 11.452 4.669 1.00 0.00 C ATOM 547 C HIS A 38 -2.539 12.449 4.400 1.00 0.00 C ATOM 548 O HIS A 38 -1.766 12.784 5.295 1.00 0.00 O ATOM 549 CB HIS A 38 -4.931 12.196 5.088 1.00 0.00 C ATOM 550 CG HIS A 38 -5.526 13.028 3.994 1.00 0.00 C ATOM 551 ND1 HIS A 38 -5.686 12.570 2.703 1.00 0.00 N ATOM 552 CD2 HIS A 38 -6.003 14.295 4.004 1.00 0.00 C ATOM 553 CE1 HIS A 38 -6.234 13.520 1.966 1.00 0.00 C ATOM 554 NE2 HIS A 38 -6.437 14.577 2.732 1.00 0.00 N ATOM 0 H HIS A 38 -4.012 10.267 6.364 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.862 10.899 3.751 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.672 11.472 5.427 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.701 12.839 5.938 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -6.036 14.960 4.854 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.475 13.445 0.916 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.849 15.459 2.428 1.00 0.00 H new ATOM 563 N GLY A 39 -2.456 12.918 3.159 1.00 0.00 N ATOM 564 CA GLY A 39 -1.424 13.870 2.793 1.00 0.00 C ATOM 565 C GLY A 39 -0.028 13.295 2.933 1.00 0.00 C ATOM 566 O GLY A 39 0.660 13.551 3.920 1.00 0.00 O ATOM 0 H GLY A 39 -3.085 12.656 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.579 14.192 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.513 14.757 3.421 1.00 0.00 H new ATOM 570 N GLY A 40 0.390 12.513 1.943 1.00 0.00 N ATOM 571 CA GLY A 40 1.710 11.911 1.980 1.00 0.00 C ATOM 572 C GLY A 40 2.154 11.403 0.622 1.00 0.00 C ATOM 573 O GLY A 40 2.300 12.180 -0.321 1.00 0.00 O ATOM 0 H GLY A 40 -0.162 12.285 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.430 12.644 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.709 11.085 2.691 1.00 0.00 H new ATOM 577 N MET A 41 2.371 10.095 0.523 1.00 0.00 N ATOM 578 CA MET A 41 2.802 9.485 -0.729 1.00 0.00 C ATOM 579 C MET A 41 1.705 8.596 -1.306 1.00 0.00 C ATOM 580 O MET A 41 1.410 8.652 -2.500 1.00 0.00 O ATOM 581 CB MET A 41 4.076 8.667 -0.511 1.00 0.00 C ATOM 582 CG MET A 41 4.361 7.676 -1.628 1.00 0.00 C ATOM 583 SD MET A 41 6.122 7.358 -1.841 1.00 0.00 S ATOM 584 CE MET A 41 6.630 8.836 -2.717 1.00 0.00 C ATOM 0 H MET A 41 2.255 9.438 1.295 1.00 0.00 H new ATOM 0 HA MET A 41 3.010 10.284 -1.441 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.922 9.347 -0.415 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.994 8.126 0.431 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.849 6.737 -1.415 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.949 8.059 -2.562 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.017 8.562 -3.699 1.00 0.00 H new ATOM 0 HE2 MET A 41 5.774 9.500 -2.837 1.00 0.00 H new ATOM 0 HE3 MET A 41 7.408 9.346 -2.149 1.00 0.00 H new ATOM 594 N VAL A 42 1.103 7.775 -0.451 1.00 0.00 N ATOM 595 CA VAL A 42 0.039 6.874 -0.876 1.00 0.00 C ATOM 596 C VAL A 42 -1.259 7.635 -1.122 1.00 0.00 C ATOM 597 O VAL A 42 -1.958 7.388 -2.105 1.00 0.00 O ATOM 598 CB VAL A 42 -0.216 5.773 0.171 1.00 0.00 C ATOM 599 CG1 VAL A 42 -1.524 5.053 -0.119 1.00 0.00 C ATOM 600 CG2 VAL A 42 0.946 4.791 0.204 1.00 0.00 C ATOM 0 H VAL A 42 1.335 7.716 0.541 1.00 0.00 H new ATOM 0 HA VAL A 42 0.369 6.411 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.296 6.240 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.687 4.279 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.347 5.767 -0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.477 4.596 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.750 4.020 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.059 4.328 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.863 5.321 0.463 1.00 0.00 H new ATOM 610 N ALA A 43 -1.575 8.562 -0.224 1.00 0.00 N ATOM 611 CA ALA A 43 -2.788 9.361 -0.345 1.00 0.00 C ATOM 612 C ALA A 43 -2.789 10.163 -1.642 1.00 0.00 C ATOM 613 O ALA A 43 -3.806 10.245 -2.330 1.00 0.00 O ATOM 614 CB ALA A 43 -2.930 10.290 0.852 1.00 0.00 C ATOM 0 H ALA A 43 -1.008 8.778 0.596 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.640 8.682 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.840 10.881 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.983 9.699 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.069 10.956 0.900 1.00 0.00 H new ATOM 620 N GLN A 44 -1.644 10.754 -1.969 1.00 0.00 N ATOM 621 CA GLN A 44 -1.515 11.551 -3.183 1.00 0.00 C ATOM 622 C GLN A 44 -1.650 10.676 -4.425 1.00 0.00 C ATOM 623 O GLN A 44 -2.580 10.841 -5.213 1.00 0.00 O ATOM 624 CB GLN A 44 -0.170 12.278 -3.200 1.00 0.00 C ATOM 625 CG GLN A 44 -0.050 13.362 -2.141 1.00 0.00 C ATOM 626 CD GLN A 44 -0.843 14.607 -2.487 1.00 0.00 C ATOM 627 OE1 GLN A 44 -2.074 14.600 -2.464 1.00 0.00 O ATOM 628 NE2 GLN A 44 -0.139 15.685 -2.812 1.00 0.00 N ATOM 0 H GLN A 44 -0.793 10.696 -1.410 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.318 12.288 -3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.629 11.550 -3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.020 12.724 -4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.396 12.970 -1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.000 13.628 -2.016 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.880 15.646 -2.818 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.617 16.552 -3.056 1.00 0.00 H new ATOM 637 N GLN A 45 -0.715 9.746 -4.592 1.00 0.00 N ATOM 638 CA GLN A 45 -0.730 8.846 -5.739 1.00 0.00 C ATOM 639 C GLN A 45 -2.119 8.251 -5.947 1.00 0.00 C ATOM 640 O GLN A 45 -2.652 8.266 -7.055 1.00 0.00 O ATOM 641 CB GLN A 45 0.295 7.726 -5.549 1.00 0.00 C ATOM 642 CG GLN A 45 1.672 8.062 -6.099 1.00 0.00 C ATOM 643 CD GLN A 45 1.687 8.165 -7.611 1.00 0.00 C ATOM 644 OE1 GLN A 45 0.886 7.529 -8.296 1.00 0.00 O ATOM 645 NE2 GLN A 45 2.602 8.969 -8.141 1.00 0.00 N ATOM 0 H GLN A 45 0.062 9.596 -3.948 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.466 9.424 -6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.382 7.501 -4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.071 6.823 -6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.010 9.006 -5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.382 7.297 -5.784 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.246 9.477 -7.535 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.660 9.078 -9.153 1.00 0.00 H new ATOM 654 N GLY A 46 -2.700 7.727 -4.872 1.00 0.00 N ATOM 655 CA GLY A 46 -4.021 7.134 -4.957 1.00 0.00 C ATOM 656 C GLY A 46 -3.977 5.677 -5.372 1.00 0.00 C ATOM 657 O GLY A 46 -4.954 4.946 -5.206 1.00 0.00 O ATOM 0 H GLY A 46 -2.279 7.703 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.517 7.218 -3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.622 7.694 -5.673 1.00 0.00 H new ATOM 661 N LEU A 47 -2.841 5.253 -5.916 1.00 0.00 N ATOM 662 CA LEU A 47 -2.673 3.873 -6.358 1.00 0.00 C ATOM 663 C LEU A 47 -3.030 2.896 -5.242 1.00 0.00 C ATOM 664 O LEU A 47 -3.740 1.914 -5.466 1.00 0.00 O ATOM 665 CB LEU A 47 -1.234 3.636 -6.818 1.00 0.00 C ATOM 666 CG LEU A 47 -0.680 4.636 -7.833 1.00 0.00 C ATOM 667 CD1 LEU A 47 0.814 4.427 -8.028 1.00 0.00 C ATOM 668 CD2 LEU A 47 -1.416 4.514 -9.159 1.00 0.00 C ATOM 0 H LEU A 47 -2.023 5.845 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.349 3.701 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.587 3.644 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.172 2.638 -7.251 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.837 5.643 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.191 5.148 -8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.328 4.567 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.995 3.416 -8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.008 5.233 -9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.292 3.505 -9.553 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.476 4.716 -9.007 1.00 0.00 H new ATOM 680 N LEU A 48 -2.536 3.172 -4.041 1.00 0.00 N ATOM 681 CA LEU A 48 -2.804 2.319 -2.888 1.00 0.00 C ATOM 682 C LEU A 48 -3.858 2.946 -1.980 1.00 0.00 C ATOM 683 O LEU A 48 -3.989 4.169 -1.916 1.00 0.00 O ATOM 684 CB LEU A 48 -1.517 2.073 -2.100 1.00 0.00 C ATOM 685 CG LEU A 48 -0.255 1.842 -2.932 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.976 2.322 -2.179 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.119 0.370 -3.296 1.00 0.00 C ATOM 0 H LEU A 48 -1.947 3.980 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.186 1.366 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.346 2.928 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.668 1.206 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.340 2.418 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.864 2.150 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.881 3.387 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.066 1.774 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.784 0.224 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.057 -0.226 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.987 0.057 -3.876 1.00 0.00 H new ATOM 699 N HIS A 49 -4.606 2.101 -1.279 1.00 0.00 N ATOM 700 CA HIS A 49 -5.646 2.572 -0.371 1.00 0.00 C ATOM 701 C HIS A 49 -6.032 1.483 0.626 1.00 0.00 C ATOM 702 O HIS A 49 -5.658 0.321 0.467 1.00 0.00 O ATOM 703 CB HIS A 49 -6.878 3.016 -1.161 1.00 0.00 C ATOM 704 CG HIS A 49 -6.806 4.435 -1.634 1.00 0.00 C ATOM 705 ND1 HIS A 49 -6.079 5.484 -1.183 1.00 0.00 N flip ATOM 706 CD2 HIS A 49 -7.545 4.913 -2.696 1.00 0.00 C flip ATOM 707 CE1 HIS A 49 -6.387 6.564 -1.973 1.00 0.00 C flip ATOM 708 NE2 HIS A 49 -7.274 6.193 -2.878 1.00 0.00 N flip ATOM 0 H HIS A 49 -4.512 1.086 -1.322 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.252 3.424 0.183 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.003 2.360 -2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.763 2.894 -0.537 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -5.424 5.474 -0.401 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.237 4.331 -3.287 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.971 7.556 -1.871 1.00 0.00 H new ATOM 717 N VAL A 50 -6.780 1.868 1.654 1.00 0.00 N ATOM 718 CA VAL A 50 -7.217 0.925 2.677 1.00 0.00 C ATOM 719 C VAL A 50 -7.799 -0.336 2.049 1.00 0.00 C ATOM 720 O VAL A 50 -8.658 -0.265 1.172 1.00 0.00 O ATOM 721 CB VAL A 50 -8.269 1.555 3.609 1.00 0.00 C ATOM 722 CG1 VAL A 50 -8.730 0.548 4.652 1.00 0.00 C ATOM 723 CG2 VAL A 50 -7.713 2.806 4.272 1.00 0.00 C ATOM 0 H VAL A 50 -7.096 2.826 1.801 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.336 0.662 3.262 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.133 1.843 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.473 1.011 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.171 -0.316 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.877 0.226 5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.470 3.238 4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.832 2.546 4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.439 3.532 3.507 1.00 0.00 H new ATOM 733 N GLY A 51 -7.325 -1.491 2.506 1.00 0.00 N ATOM 734 CA GLY A 51 -7.811 -2.753 1.979 1.00 0.00 C ATOM 735 C GLY A 51 -6.787 -3.448 1.103 1.00 0.00 C ATOM 736 O GLY A 51 -6.739 -4.677 1.047 1.00 0.00 O ATOM 0 H GLY A 51 -6.613 -1.575 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.082 -3.409 2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.719 -2.577 1.402 1.00 0.00 H new ATOM 740 N ASP A 52 -5.966 -2.660 0.417 1.00 0.00 N ATOM 741 CA ASP A 52 -4.938 -3.207 -0.461 1.00 0.00 C ATOM 742 C ASP A 52 -4.145 -4.302 0.247 1.00 0.00 C ATOM 743 O ASP A 52 -3.740 -4.142 1.398 1.00 0.00 O ATOM 744 CB ASP A 52 -3.994 -2.098 -0.929 1.00 0.00 C ATOM 745 CG ASP A 52 -4.604 -1.241 -2.021 1.00 0.00 C ATOM 746 OD1 ASP A 52 -5.727 -0.733 -1.818 1.00 0.00 O ATOM 747 OD2 ASP A 52 -3.959 -1.079 -3.078 1.00 0.00 O ATOM 0 H ASP A 52 -5.992 -1.641 0.452 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.431 -3.644 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.731 -1.467 -0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.069 -2.543 -1.295 1.00 0.00 H new ATOM 752 N ILE A 53 -3.929 -5.413 -0.450 1.00 0.00 N ATOM 753 CA ILE A 53 -3.185 -6.533 0.112 1.00 0.00 C ATOM 754 C ILE A 53 -1.790 -6.627 -0.495 1.00 0.00 C ATOM 755 O ILE A 53 -1.639 -6.827 -1.701 1.00 0.00 O ATOM 756 CB ILE A 53 -3.922 -7.867 -0.113 1.00 0.00 C ATOM 757 CG1 ILE A 53 -5.357 -7.778 0.410 1.00 0.00 C ATOM 758 CG2 ILE A 53 -3.175 -9.006 0.566 1.00 0.00 C ATOM 759 CD1 ILE A 53 -6.186 -9.007 0.112 1.00 0.00 C ATOM 0 H ILE A 53 -4.259 -5.561 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.100 -6.350 1.183 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.958 -8.068 -1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.333 -7.619 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.842 -6.907 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.708 -9.942 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.170 -9.081 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.111 -8.812 1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.191 -8.874 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.241 -9.156 -0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.724 -9.879 0.576 1.00 0.00 H new ATOM 771 N ILE A 54 -0.773 -6.482 0.347 1.00 0.00 N ATOM 772 CA ILE A 54 0.610 -6.552 -0.106 1.00 0.00 C ATOM 773 C ILE A 54 1.156 -7.972 0.011 1.00 0.00 C ATOM 774 O ILE A 54 1.224 -8.534 1.105 1.00 0.00 O ATOM 775 CB ILE A 54 1.516 -5.599 0.695 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.062 -4.150 0.506 1.00 0.00 C ATOM 777 CG2 ILE A 54 2.967 -5.765 0.272 1.00 0.00 C ATOM 778 CD1 ILE A 54 0.042 -3.698 1.528 1.00 0.00 C ATOM 0 H ILE A 54 -0.881 -6.315 1.347 1.00 0.00 H new ATOM 0 HA ILE A 54 0.613 -6.248 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 54 1.437 -5.850 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.932 -3.495 0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.639 -4.038 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.594 -5.084 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.284 -6.792 0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.065 -5.538 -0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.234 -2.662 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.845 -4.328 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.469 -3.778 2.528 1.00 0.00 H new ATOM 790 N LYS A 55 1.545 -8.546 -1.122 1.00 0.00 N ATOM 791 CA LYS A 55 2.088 -9.899 -1.147 1.00 0.00 C ATOM 792 C LYS A 55 3.610 -9.876 -1.059 1.00 0.00 C ATOM 793 O LYS A 55 4.195 -10.428 -0.128 1.00 0.00 O ATOM 794 CB LYS A 55 1.651 -10.622 -2.424 1.00 0.00 C ATOM 795 CG LYS A 55 0.152 -10.858 -2.507 1.00 0.00 C ATOM 796 CD LYS A 55 -0.237 -12.191 -1.892 1.00 0.00 C ATOM 797 CE LYS A 55 -0.220 -13.308 -2.925 1.00 0.00 C ATOM 798 NZ LYS A 55 0.118 -14.623 -2.314 1.00 0.00 N ATOM 0 H LYS A 55 1.494 -8.095 -2.036 1.00 0.00 H new ATOM 0 HA LYS A 55 1.700 -10.436 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.967 -10.038 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.165 -11.581 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.373 -10.052 -1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.164 -10.831 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.450 -12.433 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.232 -12.114 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.195 -13.372 -3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.506 -13.072 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.119 -15.358 -3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.060 -14.570 -1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.589 -14.861 -1.589 1.00 0.00 H new ATOM 812 N GLU A 56 4.245 -9.234 -2.035 1.00 0.00 N ATOM 813 CA GLU A 56 5.700 -9.139 -2.065 1.00 0.00 C ATOM 814 C GLU A 56 6.146 -7.713 -2.373 1.00 0.00 C ATOM 815 O GLU A 56 5.346 -6.877 -2.794 1.00 0.00 O ATOM 816 CB GLU A 56 6.274 -10.101 -3.108 1.00 0.00 C ATOM 817 CG GLU A 56 6.431 -9.481 -4.486 1.00 0.00 C ATOM 818 CD GLU A 56 6.658 -10.517 -5.570 1.00 0.00 C ATOM 819 OE1 GLU A 56 6.381 -11.709 -5.320 1.00 0.00 O ATOM 820 OE2 GLU A 56 7.114 -10.136 -6.668 1.00 0.00 O ATOM 0 H GLU A 56 3.775 -8.773 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 56 6.077 -9.414 -1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.246 -10.457 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.624 -10.973 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.539 -8.902 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.269 -8.784 -4.473 1.00 0.00 H new ATOM 827 N VAL A 57 7.430 -7.442 -2.159 1.00 0.00 N ATOM 828 CA VAL A 57 7.984 -6.117 -2.413 1.00 0.00 C ATOM 829 C VAL A 57 9.343 -6.212 -3.097 1.00 0.00 C ATOM 830 O VAL A 57 10.295 -6.755 -2.536 1.00 0.00 O ATOM 831 CB VAL A 57 8.133 -5.311 -1.109 1.00 0.00 C ATOM 832 CG1 VAL A 57 8.858 -4.000 -1.371 1.00 0.00 C ATOM 833 CG2 VAL A 57 6.771 -5.060 -0.480 1.00 0.00 C ATOM 0 H VAL A 57 8.106 -8.122 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 57 7.284 -5.602 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 57 8.730 -5.894 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.954 -3.444 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.850 -4.207 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.291 -3.408 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.895 -4.489 0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.148 -4.497 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.293 -6.013 -0.254 1.00 0.00 H new ATOM 843 N ASN A 58 9.427 -5.680 -4.312 1.00 0.00 N ATOM 844 CA ASN A 58 10.671 -5.705 -5.073 1.00 0.00 C ATOM 845 C ASN A 58 11.208 -7.128 -5.191 1.00 0.00 C ATOM 846 O ASN A 58 12.412 -7.338 -5.334 1.00 0.00 O ATOM 847 CB ASN A 58 11.717 -4.806 -4.410 1.00 0.00 C ATOM 848 CG ASN A 58 11.619 -3.365 -4.874 1.00 0.00 C ATOM 849 OD1 ASN A 58 11.306 -3.095 -6.033 1.00 0.00 O ATOM 850 ND2 ASN A 58 11.888 -2.433 -3.968 1.00 0.00 N ATOM 0 H ASN A 58 8.649 -5.226 -4.791 1.00 0.00 H new ATOM 0 HA ASN A 58 10.462 -5.330 -6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.593 -4.846 -3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.713 -5.189 -4.631 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.839 -1.446 -4.221 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.143 -2.704 -3.018 1.00 0.00 H new ATOM 857 N GLY A 59 10.306 -8.102 -5.130 1.00 0.00 N ATOM 858 CA GLY A 59 10.708 -9.493 -5.233 1.00 0.00 C ATOM 859 C GLY A 59 11.211 -10.049 -3.916 1.00 0.00 C ATOM 860 O GLY A 59 12.081 -10.920 -3.895 1.00 0.00 O ATOM 0 H GLY A 59 9.304 -7.953 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.862 -10.088 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.490 -9.587 -5.986 1.00 0.00 H new ATOM 864 N GLN A 60 10.665 -9.544 -2.814 1.00 0.00 N ATOM 865 CA GLN A 60 11.067 -9.995 -1.487 1.00 0.00 C ATOM 866 C GLN A 60 9.858 -10.119 -0.565 1.00 0.00 C ATOM 867 O GLN A 60 8.816 -9.500 -0.782 1.00 0.00 O ATOM 868 CB GLN A 60 12.087 -9.028 -0.884 1.00 0.00 C ATOM 869 CG GLN A 60 13.518 -9.308 -1.312 1.00 0.00 C ATOM 870 CD GLN A 60 14.384 -8.064 -1.305 1.00 0.00 C ATOM 871 OE1 GLN A 60 14.038 -7.056 -0.687 1.00 0.00 O ATOM 872 NE2 GLN A 60 15.518 -8.127 -1.994 1.00 0.00 N ATOM 0 H GLN A 60 9.944 -8.823 -2.814 1.00 0.00 H new ATOM 0 HA GLN A 60 11.526 -10.979 -1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.824 -8.010 -1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.025 -9.079 0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.953 -10.053 -0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.516 -9.739 -2.313 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.766 -8.982 -2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.141 -7.320 -2.026 1.00 0.00 H new ATOM 881 N PRO A 61 9.999 -10.936 0.489 1.00 0.00 N ATOM 882 CA PRO A 61 8.928 -11.160 1.465 1.00 0.00 C ATOM 883 C PRO A 61 8.666 -9.931 2.329 1.00 0.00 C ATOM 884 O PRO A 61 9.548 -9.468 3.053 1.00 0.00 O ATOM 885 CB PRO A 61 9.463 -12.310 2.321 1.00 0.00 C ATOM 886 CG PRO A 61 10.945 -12.217 2.197 1.00 0.00 C ATOM 887 CD PRO A 61 11.213 -11.705 0.809 1.00 0.00 C ATOM 0 HA PRO A 61 7.975 -11.377 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.146 -12.212 3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.096 -13.273 1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.358 -11.543 2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.411 -13.190 2.351 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.105 -11.080 0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.370 -12.521 0.103 1.00 0.00 H new ATOM 895 N VAL A 62 7.447 -9.406 2.249 1.00 0.00 N ATOM 896 CA VAL A 62 7.068 -8.232 3.025 1.00 0.00 C ATOM 897 C VAL A 62 7.086 -8.531 4.520 1.00 0.00 C ATOM 898 O VAL A 62 6.940 -7.631 5.346 1.00 0.00 O ATOM 899 CB VAL A 62 5.667 -7.727 2.631 1.00 0.00 C ATOM 900 CG1 VAL A 62 5.642 -7.304 1.170 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.620 -8.797 2.903 1.00 0.00 C ATOM 0 H VAL A 62 6.705 -9.776 1.654 1.00 0.00 H new ATOM 0 HA VAL A 62 7.802 -7.457 2.804 1.00 0.00 H new ATOM 0 HB VAL A 62 5.430 -6.855 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.644 -6.950 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.364 -6.503 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.900 -8.155 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.636 -8.424 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.852 -9.689 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.621 -9.046 3.964 1.00 0.00 H new ATOM 911 N GLY A 63 7.269 -9.803 4.861 1.00 0.00 N ATOM 912 CA GLY A 63 7.304 -10.199 6.257 1.00 0.00 C ATOM 913 C GLY A 63 6.018 -9.866 6.987 1.00 0.00 C ATOM 914 O GLY A 63 5.695 -8.695 7.186 1.00 0.00 O ATOM 0 H GLY A 63 7.394 -10.566 4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.488 -11.271 6.323 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.138 -9.701 6.752 1.00 0.00 H new ATOM 918 N SER A 64 5.281 -10.899 7.384 1.00 0.00 N ATOM 919 CA SER A 64 4.020 -10.710 8.091 1.00 0.00 C ATOM 920 C SER A 64 4.084 -9.486 9.000 1.00 0.00 C ATOM 921 O SER A 64 3.115 -8.736 9.119 1.00 0.00 O ATOM 922 CB SER A 64 3.682 -11.954 8.915 1.00 0.00 C ATOM 923 OG SER A 64 2.739 -11.653 9.930 1.00 0.00 O ATOM 0 H SER A 64 5.535 -11.874 7.228 1.00 0.00 H new ATOM 0 HA SER A 64 3.237 -10.550 7.350 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.282 -12.729 8.261 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.591 -12.354 9.365 1.00 0.00 H new ATOM 0 HG SER A 64 2.539 -12.465 10.441 1.00 0.00 H new ATOM 929 N ASP A 65 5.232 -9.291 9.639 1.00 0.00 N ATOM 930 CA ASP A 65 5.425 -8.159 10.537 1.00 0.00 C ATOM 931 C ASP A 65 5.196 -6.840 9.804 1.00 0.00 C ATOM 932 O ASP A 65 5.985 -6.429 8.954 1.00 0.00 O ATOM 933 CB ASP A 65 6.833 -8.187 11.133 1.00 0.00 C ATOM 934 CG ASP A 65 6.954 -9.168 12.283 1.00 0.00 C ATOM 935 OD1 ASP A 65 6.377 -8.899 13.357 1.00 0.00 O ATOM 936 OD2 ASP A 65 7.627 -10.206 12.108 1.00 0.00 O ATOM 0 H ASP A 65 6.044 -9.903 9.552 1.00 0.00 H new ATOM 0 HA ASP A 65 4.696 -8.238 11.344 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.549 -8.453 10.355 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.097 -7.189 11.481 1.00 0.00 H new ATOM 941 N PRO A 66 4.089 -6.161 10.140 1.00 0.00 N ATOM 942 CA PRO A 66 3.730 -4.879 9.526 1.00 0.00 C ATOM 943 C PRO A 66 4.667 -3.752 9.946 1.00 0.00 C ATOM 944 O PRO A 66 5.066 -2.925 9.126 1.00 0.00 O ATOM 945 CB PRO A 66 2.314 -4.620 10.048 1.00 0.00 C ATOM 946 CG PRO A 66 2.239 -5.375 11.330 1.00 0.00 C ATOM 947 CD PRO A 66 3.103 -6.591 11.146 1.00 0.00 C ATOM 0 HA PRO A 66 3.799 -4.915 8.439 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.138 -3.556 10.204 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.561 -4.967 9.340 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.593 -4.767 12.162 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.211 -5.658 11.557 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.584 -6.887 12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.523 -7.447 10.800 1.00 0.00 H new ATOM 955 N ARG A 67 5.016 -3.726 11.229 1.00 0.00 N ATOM 956 CA ARG A 67 5.906 -2.699 11.758 1.00 0.00 C ATOM 957 C ARG A 67 7.277 -2.773 11.092 1.00 0.00 C ATOM 958 O ARG A 67 8.026 -1.797 11.080 1.00 0.00 O ATOM 959 CB ARG A 67 6.054 -2.853 13.272 1.00 0.00 C ATOM 960 CG ARG A 67 4.728 -2.855 14.017 1.00 0.00 C ATOM 961 CD ARG A 67 4.916 -3.195 15.487 1.00 0.00 C ATOM 962 NE ARG A 67 5.378 -2.044 16.259 1.00 0.00 N ATOM 963 CZ ARG A 67 4.593 -1.033 16.612 1.00 0.00 C ATOM 964 NH1 ARG A 67 3.314 -1.029 16.264 1.00 0.00 N ATOM 965 NH2 ARG A 67 5.087 -0.022 17.315 1.00 0.00 N ATOM 0 H ARG A 67 4.696 -4.404 11.921 1.00 0.00 H new ATOM 0 HA ARG A 67 5.467 -1.725 11.540 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.582 -3.783 13.484 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.674 -2.041 13.652 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.257 -1.876 13.926 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.053 -3.578 13.559 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.973 -3.554 15.900 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.636 -4.008 15.582 1.00 0.00 H new ATOM 0 HE ARG A 67 6.357 -2.015 16.542 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.930 -1.804 15.723 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.714 -0.251 16.537 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.071 -0.021 17.585 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.483 0.754 17.586 1.00 0.00 H new ATOM 979 N ALA A 68 7.599 -3.938 10.539 1.00 0.00 N ATOM 980 CA ALA A 68 8.878 -4.139 9.870 1.00 0.00 C ATOM 981 C ALA A 68 8.800 -3.733 8.402 1.00 0.00 C ATOM 982 O ALA A 68 9.804 -3.355 7.798 1.00 0.00 O ATOM 983 CB ALA A 68 9.317 -5.590 9.996 1.00 0.00 C ATOM 0 H ALA A 68 6.991 -4.757 10.541 1.00 0.00 H new ATOM 0 HA ALA A 68 9.618 -3.503 10.356 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.274 -5.726 9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.422 -5.848 11.050 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.570 -6.237 9.537 1.00 0.00 H new ATOM 989 N LEU A 69 7.602 -3.814 7.834 1.00 0.00 N ATOM 990 CA LEU A 69 7.393 -3.456 6.435 1.00 0.00 C ATOM 991 C LEU A 69 7.545 -1.952 6.230 1.00 0.00 C ATOM 992 O LEU A 69 8.385 -1.505 5.450 1.00 0.00 O ATOM 993 CB LEU A 69 6.006 -3.907 5.974 1.00 0.00 C ATOM 994 CG LEU A 69 5.404 -3.133 4.802 1.00 0.00 C ATOM 995 CD1 LEU A 69 6.259 -3.300 3.556 1.00 0.00 C ATOM 996 CD2 LEU A 69 3.977 -3.592 4.537 1.00 0.00 C ATOM 0 H LEU A 69 6.761 -4.124 8.320 1.00 0.00 H new ATOM 0 HA LEU A 69 8.150 -3.964 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.062 -4.960 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.323 -3.835 6.820 1.00 0.00 H new ATOM 0 HG LEU A 69 5.382 -2.075 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.814 -2.742 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.263 -2.922 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.314 -4.356 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.564 -3.030 3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.975 -4.655 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.369 -3.420 5.425 1.00 0.00 H new ATOM 1008 N GLN A 70 6.728 -1.178 6.937 1.00 0.00 N ATOM 1009 CA GLN A 70 6.773 0.276 6.833 1.00 0.00 C ATOM 1010 C GLN A 70 8.210 0.782 6.906 1.00 0.00 C ATOM 1011 O GLN A 70 8.518 1.872 6.426 1.00 0.00 O ATOM 1012 CB GLN A 70 5.938 0.914 7.945 1.00 0.00 C ATOM 1013 CG GLN A 70 4.443 0.690 7.787 1.00 0.00 C ATOM 1014 CD GLN A 70 3.659 1.093 9.020 1.00 0.00 C ATOM 1015 OE1 GLN A 70 2.781 0.208 9.479 1.00 0.00 O flip ATOM 1016 NE2 GLN A 70 3.840 2.187 9.555 1.00 0.00 N flip ATOM 0 H GLN A 70 6.027 -1.533 7.588 1.00 0.00 H new ATOM 0 HA GLN A 70 6.356 0.559 5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.258 0.510 8.906 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.136 1.986 7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.083 1.259 6.930 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.258 -0.362 7.571 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.525 2.837 9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.305 2.444 10.385 1.00 0.00 H new ATOM 1025 N GLU A 71 9.084 -0.017 7.510 1.00 0.00 N ATOM 1026 CA GLU A 71 10.488 0.353 7.646 1.00 0.00 C ATOM 1027 C GLU A 71 11.270 -0.009 6.387 1.00 0.00 C ATOM 1028 O GLU A 71 12.217 0.684 6.011 1.00 0.00 O ATOM 1029 CB GLU A 71 11.106 -0.343 8.861 1.00 0.00 C ATOM 1030 CG GLU A 71 12.617 -0.208 8.937 1.00 0.00 C ATOM 1031 CD GLU A 71 13.170 -0.587 10.297 1.00 0.00 C ATOM 1032 OE1 GLU A 71 13.294 -1.800 10.569 1.00 0.00 O ATOM 1033 OE2 GLU A 71 13.478 0.328 11.089 1.00 0.00 O ATOM 0 H GLU A 71 8.845 -0.923 7.912 1.00 0.00 H new ATOM 0 HA GLU A 71 10.541 1.432 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.667 0.071 9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.845 -1.401 8.835 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.073 -0.840 8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.898 0.820 8.709 1.00 0.00 H new ATOM 1040 N LEU A 72 10.868 -1.097 5.740 1.00 0.00 N ATOM 1041 CA LEU A 72 11.531 -1.552 4.523 1.00 0.00 C ATOM 1042 C LEU A 72 11.406 -0.512 3.414 1.00 0.00 C ATOM 1043 O LEU A 72 12.369 -0.235 2.696 1.00 0.00 O ATOM 1044 CB LEU A 72 10.934 -2.882 4.060 1.00 0.00 C ATOM 1045 CG LEU A 72 9.766 -2.788 3.077 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.257 -2.348 1.706 1.00 0.00 C ATOM 1047 CD2 LEU A 72 9.039 -4.121 2.983 1.00 0.00 C ATOM 0 H LEU A 72 10.086 -1.681 6.038 1.00 0.00 H new ATOM 0 HA LEU A 72 12.589 -1.694 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.726 -3.471 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.599 -3.433 4.939 1.00 0.00 H new ATOM 0 HG LEU A 72 9.064 -2.040 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.413 -2.287 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.731 -1.370 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.979 -3.072 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.211 -4.035 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.731 -4.889 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.653 -4.395 3.965 1.00 0.00 H new ATOM 1059 N LEU A 73 10.216 0.062 3.280 1.00 0.00 N ATOM 1060 CA LEU A 73 9.966 1.075 2.259 1.00 0.00 C ATOM 1061 C LEU A 73 10.806 2.322 2.512 1.00 0.00 C ATOM 1062 O LEU A 73 11.455 2.840 1.603 1.00 0.00 O ATOM 1063 CB LEU A 73 8.481 1.442 2.232 1.00 0.00 C ATOM 1064 CG LEU A 73 7.540 0.391 1.643 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.162 0.492 2.278 1.00 0.00 C ATOM 1066 CD2 LEU A 73 7.446 0.546 0.132 1.00 0.00 C ATOM 0 H LEU A 73 9.409 -0.156 3.865 1.00 0.00 H new ATOM 0 HA LEU A 73 10.249 0.660 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.162 1.656 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.366 2.364 1.662 1.00 0.00 H new ATOM 0 HG LEU A 73 7.947 -0.596 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.506 -0.264 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.244 0.330 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.747 1.482 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.772 -0.210 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.064 1.538 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.435 0.422 -0.309 1.00 0.00 H new ATOM 1078 N ARG A 74 10.790 2.799 3.753 1.00 0.00 N ATOM 1079 CA ARG A 74 11.551 3.985 4.125 1.00 0.00 C ATOM 1080 C ARG A 74 12.946 3.951 3.509 1.00 0.00 C ATOM 1081 O ARG A 74 13.353 4.884 2.817 1.00 0.00 O ATOM 1082 CB ARG A 74 11.656 4.092 5.648 1.00 0.00 C ATOM 1083 CG ARG A 74 12.458 5.294 6.120 1.00 0.00 C ATOM 1084 CD ARG A 74 12.890 5.141 7.570 1.00 0.00 C ATOM 1085 NE ARG A 74 14.075 5.938 7.875 1.00 0.00 N ATOM 1086 CZ ARG A 74 15.306 5.595 7.511 1.00 0.00 C ATOM 1087 NH1 ARG A 74 15.512 4.476 6.832 1.00 0.00 N ATOM 1088 NH2 ARG A 74 16.333 6.374 7.826 1.00 0.00 N ATOM 0 H ARG A 74 10.258 2.382 4.517 1.00 0.00 H new ATOM 0 HA ARG A 74 11.025 4.859 3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.653 4.147 6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.116 3.184 6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.338 5.417 5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.859 6.198 6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 74 12.073 5.441 8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.096 4.091 7.778 1.00 0.00 H new ATOM 0 HE ARG A 74 13.951 6.806 8.396 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.725 3.876 6.587 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.458 4.215 6.554 1.00 0.00 H new ATOM 0 HH21 ARG A 74 16.178 7.237 8.348 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.278 6.110 7.546 1.00 0.00 H new ATOM 1102 N ASN A 75 13.676 2.870 3.767 1.00 0.00 N ATOM 1103 CA ASN A 75 15.026 2.716 3.239 1.00 0.00 C ATOM 1104 C ASN A 75 15.002 2.556 1.722 1.00 0.00 C ATOM 1105 O ASN A 75 15.803 3.161 1.011 1.00 0.00 O ATOM 1106 CB ASN A 75 15.711 1.507 3.880 1.00 0.00 C ATOM 1107 CG ASN A 75 15.240 0.193 3.286 1.00 0.00 C ATOM 1108 OD1 ASN A 75 15.516 -0.110 2.125 1.00 0.00 O ATOM 1109 ND2 ASN A 75 14.525 -0.593 4.082 1.00 0.00 N ATOM 0 H ASN A 75 13.355 2.088 4.338 1.00 0.00 H new ATOM 0 HA ASN A 75 15.590 3.617 3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 75 16.790 1.594 3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.516 1.509 4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.180 -1.489 3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.321 -0.301 5.038 1.00 0.00 H new ATOM 1116 N ALA A 76 14.077 1.736 1.234 1.00 0.00 N ATOM 1117 CA ALA A 76 13.946 1.498 -0.198 1.00 0.00 C ATOM 1118 C ALA A 76 13.947 2.810 -0.975 1.00 0.00 C ATOM 1119 O ALA A 76 13.186 3.727 -0.664 1.00 0.00 O ATOM 1120 CB ALA A 76 12.677 0.711 -0.489 1.00 0.00 C ATOM 0 H ALA A 76 13.407 1.225 1.809 1.00 0.00 H new ATOM 0 HA ALA A 76 14.806 0.912 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.593 0.541 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.717 -0.248 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.811 1.275 -0.142 1.00 0.00 H new ATOM 1126 N SER A 77 14.806 2.894 -1.986 1.00 0.00 N ATOM 1127 CA SER A 77 14.908 4.096 -2.805 1.00 0.00 C ATOM 1128 C SER A 77 14.927 3.743 -4.289 1.00 0.00 C ATOM 1129 O SER A 77 15.121 2.587 -4.661 1.00 0.00 O ATOM 1130 CB SER A 77 16.169 4.881 -2.440 1.00 0.00 C ATOM 1131 OG SER A 77 16.607 5.678 -3.527 1.00 0.00 O ATOM 0 H SER A 77 15.441 2.144 -2.257 1.00 0.00 H new ATOM 0 HA SER A 77 14.033 4.715 -2.608 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.969 5.516 -1.577 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.960 4.190 -2.150 1.00 0.00 H new ATOM 0 HG SER A 77 17.413 6.171 -3.267 1.00 0.00 H new ATOM 1137 N GLY A 78 14.723 4.750 -5.133 1.00 0.00 N ATOM 1138 CA GLY A 78 14.720 4.527 -6.567 1.00 0.00 C ATOM 1139 C GLY A 78 13.474 3.804 -7.039 1.00 0.00 C ATOM 1140 O GLY A 78 12.427 3.872 -6.394 1.00 0.00 O ATOM 0 H GLY A 78 14.560 5.716 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.797 5.485 -7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.600 3.946 -6.843 1.00 0.00 H new ATOM 1144 N SER A 79 13.585 3.111 -8.168 1.00 0.00 N ATOM 1145 CA SER A 79 12.456 2.377 -8.728 1.00 0.00 C ATOM 1146 C SER A 79 12.010 1.264 -7.785 1.00 0.00 C ATOM 1147 O SER A 79 12.548 0.157 -7.813 1.00 0.00 O ATOM 1148 CB SER A 79 12.830 1.788 -10.090 1.00 0.00 C ATOM 1149 OG SER A 79 13.136 2.811 -11.021 1.00 0.00 O ATOM 0 H SER A 79 14.445 3.042 -8.713 1.00 0.00 H new ATOM 0 HA SER A 79 11.628 3.074 -8.856 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.687 1.124 -9.980 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.005 1.183 -10.467 1.00 0.00 H new ATOM 0 HG SER A 79 13.373 2.409 -11.883 1.00 0.00 H new ATOM 1155 N VAL A 80 11.021 1.566 -6.949 1.00 0.00 N ATOM 1156 CA VAL A 80 10.500 0.593 -5.997 1.00 0.00 C ATOM 1157 C VAL A 80 9.245 -0.084 -6.535 1.00 0.00 C ATOM 1158 O VAL A 80 8.359 0.573 -7.083 1.00 0.00 O ATOM 1159 CB VAL A 80 10.175 1.250 -4.643 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.684 0.209 -3.648 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.393 1.984 -4.102 1.00 0.00 C ATOM 0 H VAL A 80 10.565 2.478 -6.912 1.00 0.00 H new ATOM 0 HA VAL A 80 11.279 -0.155 -5.851 1.00 0.00 H new ATOM 0 HB VAL A 80 9.378 1.978 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.459 0.692 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.783 -0.267 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.457 -0.544 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.146 2.443 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.212 1.278 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.695 2.758 -4.808 1.00 0.00 H new ATOM 1171 N ILE A 81 9.175 -1.401 -6.376 1.00 0.00 N ATOM 1172 CA ILE A 81 8.026 -2.167 -6.844 1.00 0.00 C ATOM 1173 C ILE A 81 7.251 -2.766 -5.675 1.00 0.00 C ATOM 1174 O ILE A 81 7.840 -3.232 -4.699 1.00 0.00 O ATOM 1175 CB ILE A 81 8.455 -3.300 -7.795 1.00 0.00 C ATOM 1176 CG1 ILE A 81 8.870 -2.727 -9.152 1.00 0.00 C ATOM 1177 CG2 ILE A 81 7.327 -4.307 -7.962 1.00 0.00 C ATOM 1178 CD1 ILE A 81 7.716 -2.156 -9.945 1.00 0.00 C ATOM 0 H ILE A 81 9.900 -1.960 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 81 7.383 -1.473 -7.385 1.00 0.00 H new ATOM 0 HB ILE A 81 9.313 -3.813 -7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.614 -1.946 -8.995 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.350 -3.512 -9.737 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.645 -5.102 -8.637 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.074 -4.735 -6.992 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.452 -3.807 -8.377 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.084 -1.768 -10.895 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.981 -2.939 -10.133 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.250 -1.349 -9.380 1.00 0.00 H new ATOM 1190 N LEU A 82 5.927 -2.752 -5.782 1.00 0.00 N ATOM 1191 CA LEU A 82 5.069 -3.296 -4.735 1.00 0.00 C ATOM 1192 C LEU A 82 3.947 -4.138 -5.332 1.00 0.00 C ATOM 1193 O LEU A 82 3.164 -3.657 -6.152 1.00 0.00 O ATOM 1194 CB LEU A 82 4.480 -2.163 -3.892 1.00 0.00 C ATOM 1195 CG LEU A 82 5.485 -1.183 -3.287 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.779 0.071 -2.795 1.00 0.00 C ATOM 1197 CD2 LEU A 82 6.256 -1.843 -2.152 1.00 0.00 C ATOM 0 H LEU A 82 5.424 -2.370 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 82 5.678 -3.937 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.783 -1.600 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.900 -2.604 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 82 6.194 -0.895 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.511 0.757 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.273 0.555 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.047 -0.199 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.967 -1.131 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.560 -2.160 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.794 -2.711 -2.534 1.00 0.00 H new ATOM 1209 N LYS A 83 3.872 -5.397 -4.916 1.00 0.00 N ATOM 1210 CA LYS A 83 2.844 -6.307 -5.406 1.00 0.00 C ATOM 1211 C LYS A 83 1.569 -6.185 -4.577 1.00 0.00 C ATOM 1212 O LYS A 83 1.570 -6.465 -3.377 1.00 0.00 O ATOM 1213 CB LYS A 83 3.352 -7.750 -5.372 1.00 0.00 C ATOM 1214 CG LYS A 83 2.255 -8.785 -5.551 1.00 0.00 C ATOM 1215 CD LYS A 83 2.814 -10.198 -5.538 1.00 0.00 C ATOM 1216 CE LYS A 83 3.713 -10.453 -6.738 1.00 0.00 C ATOM 1217 NZ LYS A 83 4.123 -11.881 -6.830 1.00 0.00 N ATOM 0 H LYS A 83 4.513 -5.811 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 83 2.614 -6.034 -6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.097 -7.883 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.855 -7.927 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.518 -8.677 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.736 -8.607 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.378 -10.359 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.993 -10.915 -5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.191 -10.166 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.600 -9.824 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.575 -12.054 -7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.796 -12.099 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.285 -12.490 -6.736 1.00 0.00 H new ATOM 1231 N ILE A 84 0.486 -5.768 -5.223 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.795 -5.613 -4.544 1.00 0.00 C ATOM 1233 C ILE A 84 -1.856 -6.518 -5.160 1.00 0.00 C ATOM 1234 O ILE A 84 -1.787 -6.861 -6.341 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.287 -4.154 -4.597 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.128 -3.193 -4.328 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.408 -3.937 -3.592 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.249 -3.096 -2.866 1.00 0.00 C ATOM 0 H ILE A 84 0.469 -5.531 -6.215 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.638 -5.897 -3.504 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.677 -3.952 -5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.742 -3.517 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.397 -2.201 -4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.745 -2.902 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.240 -4.601 -3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.043 -4.152 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.077 -2.397 -2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.608 -2.742 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.549 -4.079 -2.502 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.839 -6.902 -4.353 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.918 -7.766 -4.819 1.00 0.00 C ATOM 1252 C LEU A 85 -5.202 -7.504 -4.038 1.00 0.00 C ATOM 1253 O LEU A 85 -5.171 -7.293 -2.825 1.00 0.00 O ATOM 1254 CB LEU A 85 -3.516 -9.236 -4.681 1.00 0.00 C ATOM 1255 CG LEU A 85 -2.806 -9.853 -5.887 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -1.806 -10.906 -5.437 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -3.819 -10.454 -6.852 1.00 0.00 C ATOM 0 H LEU A 85 -2.911 -6.629 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.101 -7.542 -5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.865 -9.334 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.413 -9.820 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.262 -9.064 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.311 -11.334 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.062 -10.447 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.327 -11.694 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.296 -10.889 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.391 -11.230 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.496 -9.674 -7.201 1.00 0.00 H new ATOM 1269 N SER A 86 -6.330 -7.519 -4.740 1.00 0.00 N ATOM 1270 CA SER A 86 -7.625 -7.281 -4.113 1.00 0.00 C ATOM 1271 C SER A 86 -8.011 -8.445 -3.206 1.00 0.00 C ATOM 1272 O SER A 86 -7.338 -9.475 -3.178 1.00 0.00 O ATOM 1273 CB SER A 86 -8.701 -7.073 -5.180 1.00 0.00 C ATOM 1274 OG SER A 86 -8.947 -8.270 -5.897 1.00 0.00 O ATOM 0 H SER A 86 -6.374 -7.694 -5.744 1.00 0.00 H new ATOM 0 HA SER A 86 -7.547 -6.380 -3.505 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.623 -6.731 -4.709 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.386 -6.290 -5.870 1.00 0.00 H new ATOM 0 HG SER A 86 -9.640 -8.111 -6.572 1.00 0.00 H new