USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 422 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 96 CYS SG : rot 116:sc= 0.207 USER MOD Set 1.2: A 105 CYS SG : rot 148:sc= 0.45 USER MOD Set 1.3: A 110 CYS SG : rot 146:sc= 0.0508 USER MOD Set 1.4: A 114 HIS : no HD1:sc= -3.77! C(o=-3.1!,f=-6.4!) USER MOD Set 2.1: A 91 THR OG1 : rot -61:sc= 0.042 USER MOD Set 2.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 68 CYS SG : rot 127:sc= 0.925 USER MOD Set 3.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 70 HIS : no HD1:sc= -0.438 K(o=0.23,f=-3.6!) USER MOD Set 3.4: A 76 CYS SG : rot 148:sc= 0.00554 USER MOD Set 3.5: A 82 CYS SG : rot -124:sc= 0.905 USER MOD Set 3.6: A 86 HIS : no HD1:sc= -1.17 K(o=0.23,f=-1.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= -0.0244 (180deg=-0.279) USER MOD Single : A 81 GLN :FLIP amide:sc= -1.29 F(o=-2.3!,f=-1.3) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.382 USER MOD Single : A 90 MET CE :methyl 168:sc= -5.05! (180deg=-6.24!) USER MOD Single : A 93 MET CE :methyl -162:sc= -0.755 (180deg=-1.47) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc=-0.00373 K(o=-0.0037,f=-1.8) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 63 -9.482 2.042 4.185 1.00 0.00 N ATOM 67 CA GLU A 63 -10.419 1.319 3.333 1.00 0.00 C ATOM 68 C GLU A 63 -10.167 -0.185 3.402 1.00 0.00 C ATOM 69 O GLU A 63 -9.302 -0.648 4.146 1.00 0.00 O ATOM 70 CB GLU A 63 -10.302 1.800 1.886 1.00 0.00 C ATOM 71 CG GLU A 63 -8.870 1.896 1.389 1.00 0.00 C ATOM 72 CD GLU A 63 -8.770 2.524 0.013 1.00 0.00 C ATOM 73 OE1 GLU A 63 -9.033 3.740 -0.104 1.00 0.00 O ATOM 74 OE2 GLU A 63 -8.430 1.801 -0.947 1.00 0.00 O ATOM 0 HA GLU A 63 -11.428 1.519 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.857 1.119 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.774 2.778 1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.283 2.483 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.431 0.898 1.362 1.00 0.00 H new ATOM 81 N LYS A 64 -10.930 -0.943 2.622 1.00 0.00 N ATOM 82 CA LYS A 64 -10.791 -2.394 2.592 1.00 0.00 C ATOM 83 C LYS A 64 -9.502 -2.803 1.887 1.00 0.00 C ATOM 84 O LYS A 64 -9.222 -3.991 1.721 1.00 0.00 O ATOM 85 CB LYS A 64 -11.993 -3.027 1.887 1.00 0.00 C ATOM 86 CG LYS A 64 -13.329 -2.458 2.332 1.00 0.00 C ATOM 87 CD LYS A 64 -14.485 -3.097 1.582 1.00 0.00 C ATOM 88 CE LYS A 64 -14.762 -4.506 2.082 1.00 0.00 C ATOM 89 NZ LYS A 64 -15.421 -5.344 1.042 1.00 0.00 N ATOM 0 H LYS A 64 -11.652 -0.576 2.002 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.751 -2.751 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.888 -2.886 0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.986 -4.102 2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.455 -2.619 3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.339 -1.380 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.379 -2.485 1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.257 -3.126 0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.826 -4.974 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.397 -4.459 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.593 -6.297 1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.327 -4.911 0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.804 -5.410 0.207 1.00 0.00 H new ATOM 103 N THR A 65 -8.718 -1.811 1.475 1.00 0.00 N ATOM 104 CA THR A 65 -7.458 -2.068 0.788 1.00 0.00 C ATOM 105 C THR A 65 -6.791 -3.333 1.317 1.00 0.00 C ATOM 106 O THR A 65 -6.127 -4.054 0.573 1.00 0.00 O ATOM 107 CB THR A 65 -6.483 -0.885 0.942 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.182 -1.259 0.476 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.399 -0.439 2.394 1.00 0.00 C ATOM 0 H THR A 65 -8.934 -0.823 1.605 1.00 0.00 H new ATOM 0 HA THR A 65 -7.695 -2.200 -0.268 1.00 0.00 H new ATOM 0 HB THR A 65 -6.857 -0.054 0.344 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.568 -0.501 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.705 0.397 2.478 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.386 -0.127 2.737 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.046 -1.267 3.009 1.00 0.00 H new ATOM 117 N VAL A 66 -6.974 -3.597 2.607 1.00 0.00 N ATOM 118 CA VAL A 66 -6.392 -4.777 3.235 1.00 0.00 C ATOM 119 C VAL A 66 -7.372 -5.944 3.228 1.00 0.00 C ATOM 120 O VAL A 66 -8.583 -5.753 3.335 1.00 0.00 O ATOM 121 CB VAL A 66 -5.966 -4.488 4.687 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.743 -5.786 5.447 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.714 -3.624 4.712 1.00 0.00 C ATOM 0 H VAL A 66 -7.520 -3.010 3.237 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.511 -5.043 2.651 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.769 -3.940 5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.443 -5.561 6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.667 -6.364 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.959 -6.364 4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.427 -3.429 5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.903 -4.144 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.914 -2.679 4.207 1.00 0.00 H new ATOM 133 N VAL A 67 -6.840 -7.156 3.101 1.00 0.00 N ATOM 134 CA VAL A 67 -7.668 -8.356 3.081 1.00 0.00 C ATOM 135 C VAL A 67 -7.885 -8.898 4.489 1.00 0.00 C ATOM 136 O VAL A 67 -6.929 -9.138 5.228 1.00 0.00 O ATOM 137 CB VAL A 67 -7.038 -9.459 2.210 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.643 -10.814 2.542 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.212 -9.136 0.733 1.00 0.00 C ATOM 0 H VAL A 67 -5.839 -7.332 3.010 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.629 -8.070 2.653 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.971 -9.502 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.185 -11.580 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.461 -11.046 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.717 -10.788 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.761 -9.926 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.274 -9.064 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.726 -8.187 0.508 1.00 0.00 H new ATOM 149 N CYS A 68 -9.147 -9.089 4.856 1.00 0.00 N ATOM 150 CA CYS A 68 -9.491 -9.603 6.176 1.00 0.00 C ATOM 151 C CYS A 68 -8.609 -10.793 6.544 1.00 0.00 C ATOM 152 O CYS A 68 -8.301 -11.635 5.700 1.00 0.00 O ATOM 153 CB CYS A 68 -10.964 -10.013 6.219 1.00 0.00 C ATOM 154 SG CYS A 68 -11.602 -10.322 7.898 1.00 0.00 S ATOM 0 H CYS A 68 -9.950 -8.895 4.257 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.321 -8.809 6.903 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.562 -9.229 5.753 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.097 -10.914 5.620 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.674 -9.613 8.092 1.00 0.00 H new ATOM 159 N LYS A 69 -8.207 -10.856 7.808 1.00 0.00 N ATOM 160 CA LYS A 69 -7.362 -11.942 8.290 1.00 0.00 C ATOM 161 C LYS A 69 -8.208 -13.114 8.778 1.00 0.00 C ATOM 162 O LYS A 69 -7.749 -14.257 8.801 1.00 0.00 O ATOM 163 CB LYS A 69 -6.455 -11.449 9.419 1.00 0.00 C ATOM 164 CG LYS A 69 -7.211 -11.037 10.670 1.00 0.00 C ATOM 165 CD LYS A 69 -6.370 -10.137 11.560 1.00 0.00 C ATOM 166 CE LYS A 69 -6.285 -8.724 11.002 1.00 0.00 C ATOM 167 NZ LYS A 69 -7.494 -7.922 11.339 1.00 0.00 N ATOM 0 H LYS A 69 -8.453 -10.167 8.519 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.744 -12.283 7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.747 -12.237 9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.872 -10.601 9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.127 -10.518 10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.507 -11.926 11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.800 -10.109 12.561 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.367 -10.553 11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.399 -8.229 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.168 -8.767 9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.398 -6.966 10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.337 -8.380 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.592 -7.859 12.372 1.00 0.00 H new ATOM 181 N HIS A 70 -9.445 -12.823 9.167 1.00 0.00 N ATOM 182 CA HIS A 70 -10.356 -13.853 9.653 1.00 0.00 C ATOM 183 C HIS A 70 -10.910 -14.679 8.495 1.00 0.00 C ATOM 184 O HIS A 70 -10.848 -15.909 8.512 1.00 0.00 O ATOM 185 CB HIS A 70 -11.505 -13.220 10.437 1.00 0.00 C ATOM 186 CG HIS A 70 -11.053 -12.227 11.464 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.484 -11.014 11.139 1.00 0.00 N ATOM 188 CD2 HIS A 70 -11.091 -12.273 12.817 1.00 0.00 C ATOM 189 CE1 HIS A 70 -10.190 -10.357 12.247 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.549 -11.100 13.279 1.00 0.00 N ATOM 0 H HIS A 70 -9.840 -11.882 9.155 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.796 -14.515 10.314 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.182 -12.727 9.739 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.075 -14.007 10.931 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.476 -13.082 13.420 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.734 -9.379 12.300 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.441 -10.843 14.260 1.00 0.00 H new ATOM 198 N TRP A 71 -11.450 -13.996 7.493 1.00 0.00 N ATOM 199 CA TRP A 71 -12.015 -14.667 6.328 1.00 0.00 C ATOM 200 C TRP A 71 -11.010 -15.637 5.717 1.00 0.00 C ATOM 201 O TRP A 71 -11.370 -16.736 5.295 1.00 0.00 O ATOM 202 CB TRP A 71 -12.450 -13.638 5.283 1.00 0.00 C ATOM 203 CG TRP A 71 -12.608 -14.217 3.909 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.690 -14.897 3.426 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.653 -14.169 2.844 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.465 -15.275 2.124 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.223 -14.839 1.743 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.374 -13.624 2.711 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.555 -14.978 0.529 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.712 -13.762 1.506 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.303 -14.434 0.428 1.00 0.00 C ATOM 0 H TRP A 71 -11.509 -12.978 7.463 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.887 -15.235 6.654 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.396 -13.193 5.593 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.716 -12.833 5.248 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.590 -15.107 3.985 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -14.117 -15.795 1.537 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.910 -13.104 3.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.008 -15.496 -0.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.722 -13.345 1.393 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.760 -14.525 -0.501 1.00 0.00 H new ATOM 222 N LEU A 72 -9.748 -15.224 5.674 1.00 0.00 N ATOM 223 CA LEU A 72 -8.689 -16.057 5.114 1.00 0.00 C ATOM 224 C LEU A 72 -8.785 -17.486 5.642 1.00 0.00 C ATOM 225 O LEU A 72 -8.794 -18.444 4.869 1.00 0.00 O ATOM 226 CB LEU A 72 -7.318 -15.468 5.450 1.00 0.00 C ATOM 227 CG LEU A 72 -6.850 -14.312 4.567 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.559 -13.716 5.107 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.663 -14.779 3.130 1.00 0.00 C ATOM 0 H LEU A 72 -9.433 -14.318 6.020 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.812 -16.080 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.336 -15.125 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.578 -16.266 5.392 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.617 -13.538 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.241 -12.894 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.725 -13.344 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.784 -14.482 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.330 -13.942 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.916 -15.572 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.610 -15.157 2.744 1.00 0.00 H new ATOM 241 N ARG A 73 -8.857 -17.620 6.962 1.00 0.00 N ATOM 242 CA ARG A 73 -8.953 -18.931 7.593 1.00 0.00 C ATOM 243 C ARG A 73 -10.411 -19.330 7.798 1.00 0.00 C ATOM 244 O ARG A 73 -10.705 -20.337 8.440 1.00 0.00 O ATOM 245 CB ARG A 73 -8.219 -18.930 8.935 1.00 0.00 C ATOM 246 CG ARG A 73 -6.711 -18.797 8.805 1.00 0.00 C ATOM 247 CD ARG A 73 -6.051 -20.148 8.576 1.00 0.00 C ATOM 248 NE ARG A 73 -4.617 -20.110 8.852 1.00 0.00 N ATOM 249 CZ ARG A 73 -3.790 -21.114 8.583 1.00 0.00 C ATOM 250 NH1 ARG A 73 -4.253 -22.229 8.034 1.00 0.00 N ATOM 251 NH2 ARG A 73 -2.498 -21.004 8.863 1.00 0.00 N ATOM 0 H ARG A 73 -8.851 -16.837 7.615 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.485 -19.660 6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.596 -18.109 9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.449 -19.854 9.466 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.473 -18.130 7.977 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.306 -18.341 9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.523 -20.895 9.214 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.214 -20.461 7.545 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.230 -19.266 9.274 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.246 -22.317 7.818 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.616 -22.999 7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.139 -20.148 9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.864 -21.776 8.656 1.00 0.00 H new ATOM 265 N GLY A 74 -11.321 -18.531 7.248 1.00 0.00 N ATOM 266 CA GLY A 74 -12.738 -18.817 7.383 1.00 0.00 C ATOM 267 C GLY A 74 -13.239 -18.608 8.798 1.00 0.00 C ATOM 268 O GLY A 74 -13.900 -19.479 9.365 1.00 0.00 O ATOM 0 H GLY A 74 -11.102 -17.691 6.712 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.301 -18.177 6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.928 -19.847 7.082 1.00 0.00 H new ATOM 272 N LEU A 75 -12.925 -17.451 9.370 1.00 0.00 N ATOM 273 CA LEU A 75 -13.347 -17.131 10.729 1.00 0.00 C ATOM 274 C LEU A 75 -14.137 -15.826 10.760 1.00 0.00 C ATOM 275 O LEU A 75 -14.165 -15.129 11.775 1.00 0.00 O ATOM 276 CB LEU A 75 -12.131 -17.026 11.651 1.00 0.00 C ATOM 277 CG LEU A 75 -11.490 -18.350 12.068 1.00 0.00 C ATOM 278 CD1 LEU A 75 -10.856 -19.038 10.868 1.00 0.00 C ATOM 279 CD2 LEU A 75 -10.456 -18.121 13.161 1.00 0.00 C ATOM 0 H LEU A 75 -12.380 -16.719 8.914 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.993 -17.935 11.081 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.374 -16.419 11.154 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.428 -16.489 12.552 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.270 -19.000 12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.405 -19.979 11.184 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.620 -19.237 10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.088 -18.392 10.442 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.010 -19.074 13.445 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.678 -17.452 12.792 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.938 -17.672 14.030 1.00 0.00 H new ATOM 291 N CYS A 76 -14.778 -15.501 9.643 1.00 0.00 N ATOM 292 CA CYS A 76 -15.570 -14.281 9.542 1.00 0.00 C ATOM 293 C CYS A 76 -16.969 -14.583 9.012 1.00 0.00 C ATOM 294 O CYS A 76 -17.134 -15.347 8.060 1.00 0.00 O ATOM 295 CB CYS A 76 -14.874 -13.271 8.628 1.00 0.00 C ATOM 296 SG CYS A 76 -15.220 -11.531 9.043 1.00 0.00 S ATOM 0 H CYS A 76 -14.765 -16.066 8.794 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.663 -13.854 10.541 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.798 -13.437 8.674 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -15.182 -13.456 7.599 1.00 0.00 H new ATOM 0 HG CYS A 76 -14.182 -10.802 8.757 1.00 0.00 H new ATOM 301 N LYS A 77 -17.975 -13.978 9.635 1.00 0.00 N ATOM 302 CA LYS A 77 -19.360 -14.179 9.227 1.00 0.00 C ATOM 303 C LYS A 77 -19.997 -12.862 8.796 1.00 0.00 C ATOM 304 O LYS A 77 -21.214 -12.694 8.875 1.00 0.00 O ATOM 305 CB LYS A 77 -20.166 -14.798 10.372 1.00 0.00 C ATOM 306 CG LYS A 77 -21.418 -15.524 9.911 1.00 0.00 C ATOM 307 CD LYS A 77 -21.079 -16.820 9.194 1.00 0.00 C ATOM 308 CE LYS A 77 -20.858 -17.960 10.176 1.00 0.00 C ATOM 309 NZ LYS A 77 -20.496 -19.227 9.483 1.00 0.00 N ATOM 0 H LYS A 77 -17.856 -13.344 10.425 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.367 -14.861 8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.531 -15.497 10.916 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.449 -14.012 11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -22.053 -15.738 10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.990 -14.878 9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.886 -17.080 8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.182 -16.679 8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.066 -17.689 10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.763 -18.113 10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.354 -19.979 10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.262 -19.499 8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.618 -19.088 8.942 1.00 0.00 H new ATOM 323 N LYS A 78 -19.168 -11.930 8.340 1.00 0.00 N ATOM 324 CA LYS A 78 -19.649 -10.628 7.894 1.00 0.00 C ATOM 325 C LYS A 78 -19.796 -10.593 6.376 1.00 0.00 C ATOM 326 O LYS A 78 -20.772 -10.060 5.850 1.00 0.00 O ATOM 327 CB LYS A 78 -18.693 -9.524 8.350 1.00 0.00 C ATOM 328 CG LYS A 78 -18.463 -9.500 9.851 1.00 0.00 C ATOM 329 CD LYS A 78 -17.527 -8.373 10.254 1.00 0.00 C ATOM 330 CE LYS A 78 -17.537 -8.151 11.759 1.00 0.00 C ATOM 331 NZ LYS A 78 -18.843 -7.615 12.232 1.00 0.00 N ATOM 0 H LYS A 78 -18.158 -12.052 8.269 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.629 -10.458 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.735 -9.654 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -19.090 -8.559 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.417 -9.383 10.364 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -18.044 -10.454 10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.514 -8.605 9.926 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.823 -7.454 9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.326 -9.092 12.266 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.741 -7.458 12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.721 -7.180 13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -19.188 -6.900 11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -19.533 -8.390 12.297 1.00 0.00 H new ATOM 345 N GLY A 79 -18.820 -11.166 5.678 1.00 0.00 N ATOM 346 CA GLY A 79 -18.861 -11.190 4.228 1.00 0.00 C ATOM 347 C GLY A 79 -18.983 -9.803 3.628 1.00 0.00 C ATOM 348 O GLY A 79 -17.995 -9.231 3.166 1.00 0.00 O ATOM 0 H GLY A 79 -18.002 -11.614 6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.957 -11.668 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.704 -11.799 3.902 1.00 0.00 H new ATOM 352 N ASP A 80 -20.196 -9.262 3.633 1.00 0.00 N ATOM 353 CA ASP A 80 -20.443 -7.934 3.084 1.00 0.00 C ATOM 354 C ASP A 80 -20.490 -6.888 4.194 1.00 0.00 C ATOM 355 O ASP A 80 -20.557 -5.689 3.926 1.00 0.00 O ATOM 356 CB ASP A 80 -21.754 -7.920 2.297 1.00 0.00 C ATOM 357 CG ASP A 80 -21.703 -8.811 1.071 1.00 0.00 C ATOM 358 OD1 ASP A 80 -20.624 -8.902 0.448 1.00 0.00 O ATOM 359 OD2 ASP A 80 -22.741 -9.417 0.735 1.00 0.00 O ATOM 0 H ASP A 80 -21.024 -9.723 4.011 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.622 -7.687 2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -22.567 -8.246 2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.980 -6.898 1.991 1.00 0.00 H new ATOM 364 N GLN A 81 -20.456 -7.352 5.439 1.00 0.00 N ATOM 365 CA GLN A 81 -20.497 -6.456 6.589 1.00 0.00 C ATOM 366 C GLN A 81 -19.089 -6.118 7.066 1.00 0.00 C ATOM 367 O GLN A 81 -18.869 -5.089 7.705 1.00 0.00 O ATOM 368 CB GLN A 81 -21.296 -7.091 7.729 1.00 0.00 C ATOM 369 CG GLN A 81 -22.802 -7.000 7.541 1.00 0.00 C ATOM 370 CD GLN A 81 -23.231 -5.699 6.892 1.00 0.00 C ATOM 371 OE1 GLN A 81 -23.114 -5.628 5.572 1.00 0.00 O flip ATOM 372 NE2 GLN A 81 -23.664 -4.767 7.571 1.00 0.00 N flip ATOM 0 H GLN A 81 -20.400 -8.342 5.677 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.988 -5.533 6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -21.012 -8.139 7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.025 -6.605 8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.139 -7.836 6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -23.292 -7.097 8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.737 -4.865 8.584 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.949 -3.897 7.121 1.00 0.00 H new ATOM 381 N CYS A 82 -18.137 -6.990 6.751 1.00 0.00 N ATOM 382 CA CYS A 82 -16.750 -6.786 7.148 1.00 0.00 C ATOM 383 C CYS A 82 -16.249 -5.419 6.690 1.00 0.00 C ATOM 384 O CYS A 82 -16.881 -4.760 5.865 1.00 0.00 O ATOM 385 CB CYS A 82 -15.863 -7.888 6.565 1.00 0.00 C ATOM 386 SG CYS A 82 -14.234 -8.034 7.367 1.00 0.00 S ATOM 0 H CYS A 82 -18.302 -7.846 6.221 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.700 -6.826 8.236 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.384 -8.842 6.649 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.717 -7.697 5.502 1.00 0.00 H new ATOM 0 HG CYS A 82 -13.298 -7.924 6.472 1.00 0.00 H new ATOM 391 N GLU A 83 -15.109 -5.000 7.231 1.00 0.00 N ATOM 392 CA GLU A 83 -14.525 -3.712 6.879 1.00 0.00 C ATOM 393 C GLU A 83 -13.287 -3.897 6.006 1.00 0.00 C ATOM 394 O GLU A 83 -12.661 -2.925 5.582 1.00 0.00 O ATOM 395 CB GLU A 83 -14.159 -2.929 8.142 1.00 0.00 C ATOM 396 CG GLU A 83 -13.648 -3.805 9.274 1.00 0.00 C ATOM 397 CD GLU A 83 -12.719 -3.061 10.213 1.00 0.00 C ATOM 398 OE1 GLU A 83 -12.016 -2.140 9.745 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.693 -3.400 11.414 1.00 0.00 O ATOM 0 H GLU A 83 -14.572 -5.534 7.914 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.267 -3.148 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.397 -2.190 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.036 -2.380 8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.495 -4.193 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.124 -4.664 8.855 1.00 0.00 H new ATOM 406 N PHE A 84 -12.939 -5.152 5.742 1.00 0.00 N ATOM 407 CA PHE A 84 -11.775 -5.466 4.921 1.00 0.00 C ATOM 408 C PHE A 84 -12.180 -6.261 3.683 1.00 0.00 C ATOM 409 O PHE A 84 -13.308 -6.747 3.586 1.00 0.00 O ATOM 410 CB PHE A 84 -10.748 -6.257 5.735 1.00 0.00 C ATOM 411 CG PHE A 84 -10.180 -5.487 6.892 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.814 -5.492 8.124 1.00 0.00 C ATOM 413 CD2 PHE A 84 -9.010 -4.758 6.749 1.00 0.00 C ATOM 414 CE1 PHE A 84 -10.293 -4.785 9.191 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.484 -4.049 7.812 1.00 0.00 C ATOM 416 CZ PHE A 84 -9.127 -4.062 9.035 1.00 0.00 C ATOM 0 H PHE A 84 -13.446 -5.968 6.084 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.327 -4.527 4.597 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.216 -7.167 6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.934 -6.564 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.727 -6.055 8.252 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.503 -4.744 5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.797 -4.798 10.146 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.571 -3.485 7.687 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.718 -3.508 9.867 1.00 0.00 H new ATOM 426 N LEU A 85 -11.254 -6.388 2.740 1.00 0.00 N ATOM 427 CA LEU A 85 -11.514 -7.123 1.507 1.00 0.00 C ATOM 428 C LEU A 85 -11.559 -8.626 1.768 1.00 0.00 C ATOM 429 O LEU A 85 -10.746 -9.160 2.522 1.00 0.00 O ATOM 430 CB LEU A 85 -10.439 -6.807 0.465 1.00 0.00 C ATOM 431 CG LEU A 85 -10.581 -5.470 -0.261 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.224 -4.973 -0.736 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.544 -5.599 -1.433 1.00 0.00 C ATOM 0 H LEU A 85 -10.316 -5.992 2.805 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.485 -6.810 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.467 -6.829 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.437 -7.603 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.987 -4.740 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.345 -4.020 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.564 -4.841 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.789 -5.702 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.633 -4.637 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.167 -6.344 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.523 -5.908 -1.067 1.00 0.00 H new ATOM 445 N HIS A 86 -12.514 -9.302 1.137 1.00 0.00 N ATOM 446 CA HIS A 86 -12.664 -10.744 1.299 1.00 0.00 C ATOM 447 C HIS A 86 -12.206 -11.482 0.045 1.00 0.00 C ATOM 448 O HIS A 86 -12.580 -12.633 -0.180 1.00 0.00 O ATOM 449 CB HIS A 86 -14.119 -11.095 1.609 1.00 0.00 C ATOM 450 CG HIS A 86 -14.448 -11.049 3.070 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.504 -11.741 3.626 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.853 -10.390 4.091 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.544 -11.508 4.925 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.553 -10.691 5.234 1.00 0.00 N ATOM 0 H HIS A 86 -13.195 -8.875 0.509 1.00 0.00 H new ATOM 0 HA HIS A 86 -12.037 -11.058 2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.772 -10.404 1.076 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.332 -12.094 1.228 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.988 -9.747 4.020 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.265 -11.916 5.618 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -14.342 -10.341 6.169 1.00 0.00 H new ATOM 462 N GLU A 87 -11.397 -10.811 -0.769 1.00 0.00 N ATOM 463 CA GLU A 87 -10.891 -11.403 -2.001 1.00 0.00 C ATOM 464 C GLU A 87 -9.366 -11.463 -1.990 1.00 0.00 C ATOM 465 O GLU A 87 -8.700 -10.515 -1.572 1.00 0.00 O ATOM 466 CB GLU A 87 -11.372 -10.603 -3.213 1.00 0.00 C ATOM 467 CG GLU A 87 -10.754 -9.219 -3.313 1.00 0.00 C ATOM 468 CD GLU A 87 -11.004 -8.564 -4.658 1.00 0.00 C ATOM 469 OE1 GLU A 87 -11.971 -8.961 -5.342 1.00 0.00 O ATOM 470 OE2 GLU A 87 -10.233 -7.654 -5.026 1.00 0.00 O ATOM 0 H GLU A 87 -11.078 -9.857 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.277 -12.420 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.142 -11.161 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.457 -10.505 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.160 -8.586 -2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.680 -9.292 -3.143 1.00 0.00 H new ATOM 477 N TYR A 88 -8.820 -12.582 -2.452 1.00 0.00 N ATOM 478 CA TYR A 88 -7.374 -12.767 -2.493 1.00 0.00 C ATOM 479 C TYR A 88 -6.759 -11.995 -3.656 1.00 0.00 C ATOM 480 O TYR A 88 -6.857 -12.409 -4.811 1.00 0.00 O ATOM 481 CB TYR A 88 -7.033 -14.253 -2.615 1.00 0.00 C ATOM 482 CG TYR A 88 -5.751 -14.640 -1.911 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.515 -14.407 -2.501 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.777 -15.238 -0.658 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.341 -14.759 -1.862 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.609 -15.592 -0.011 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.393 -15.351 -0.618 1.00 0.00 C ATOM 488 OH TYR A 88 -2.227 -15.703 0.022 1.00 0.00 O ATOM 0 H TYR A 88 -9.357 -13.375 -2.803 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.957 -12.380 -1.563 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.854 -14.841 -2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.951 -14.513 -3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.471 -13.943 -3.475 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.727 -15.430 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.388 -14.571 -2.335 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.647 -16.055 0.964 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.439 -16.107 0.889 1.00 0.00 H new ATOM 498 N ASP A 89 -6.125 -10.871 -3.341 1.00 0.00 N ATOM 499 CA ASP A 89 -5.491 -10.040 -4.358 1.00 0.00 C ATOM 500 C ASP A 89 -4.010 -9.839 -4.050 1.00 0.00 C ATOM 501 O ASP A 89 -3.615 -9.746 -2.888 1.00 0.00 O ATOM 502 CB ASP A 89 -6.194 -8.685 -4.451 1.00 0.00 C ATOM 503 CG ASP A 89 -6.188 -8.125 -5.860 1.00 0.00 C ATOM 504 OD1 ASP A 89 -5.132 -8.197 -6.523 1.00 0.00 O ATOM 505 OD2 ASP A 89 -7.240 -7.616 -6.300 1.00 0.00 O ATOM 0 H ASP A 89 -6.036 -10.514 -2.390 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.578 -10.552 -5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.224 -8.789 -4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.705 -7.978 -3.780 1.00 0.00 H new ATOM 510 N MET A 90 -3.196 -9.774 -5.099 1.00 0.00 N ATOM 511 CA MET A 90 -1.759 -9.584 -4.940 1.00 0.00 C ATOM 512 C MET A 90 -1.428 -8.113 -4.710 1.00 0.00 C ATOM 513 O MET A 90 -0.333 -7.776 -4.258 1.00 0.00 O ATOM 514 CB MET A 90 -1.016 -10.100 -6.173 1.00 0.00 C ATOM 515 CG MET A 90 -0.650 -11.573 -6.091 1.00 0.00 C ATOM 516 SD MET A 90 1.022 -11.840 -5.472 1.00 0.00 S ATOM 517 CE MET A 90 0.749 -11.744 -3.705 1.00 0.00 C ATOM 0 H MET A 90 -3.507 -9.850 -6.067 1.00 0.00 H new ATOM 0 HA MET A 90 -1.436 -10.151 -4.067 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.635 -9.937 -7.055 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.106 -9.515 -6.310 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.360 -12.084 -5.441 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.743 -12.022 -7.080 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.637 -12.097 -3.180 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.548 -10.710 -3.424 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.104 -12.366 -3.434 1.00 0.00 H new ATOM 527 N THR A 91 -2.380 -7.240 -5.024 1.00 0.00 N ATOM 528 CA THR A 91 -2.188 -5.805 -4.853 1.00 0.00 C ATOM 529 C THR A 91 -2.962 -5.287 -3.646 1.00 0.00 C ATOM 530 O THR A 91 -2.471 -4.442 -2.897 1.00 0.00 O ATOM 531 CB THR A 91 -2.632 -5.026 -6.106 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.048 -5.147 -6.282 1.00 0.00 O ATOM 533 CG2 THR A 91 -1.916 -5.541 -7.345 1.00 0.00 C ATOM 0 H THR A 91 -3.292 -7.502 -5.398 1.00 0.00 H new ATOM 0 HA THR A 91 -1.122 -5.645 -4.693 1.00 0.00 H new ATOM 0 HB THR A 91 -2.372 -3.977 -5.966 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.282 -6.090 -6.411 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.246 -4.976 -8.217 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.840 -5.420 -7.220 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.149 -6.596 -7.487 1.00 0.00 H new ATOM 541 N LYS A 92 -4.174 -5.800 -3.461 1.00 0.00 N ATOM 542 CA LYS A 92 -5.015 -5.391 -2.343 1.00 0.00 C ATOM 543 C LYS A 92 -4.629 -6.136 -1.070 1.00 0.00 C ATOM 544 O LYS A 92 -5.419 -6.233 -0.132 1.00 0.00 O ATOM 545 CB LYS A 92 -6.489 -5.645 -2.668 1.00 0.00 C ATOM 546 CG LYS A 92 -6.918 -5.095 -4.017 1.00 0.00 C ATOM 547 CD LYS A 92 -7.470 -3.684 -3.894 1.00 0.00 C ATOM 548 CE LYS A 92 -6.367 -2.643 -4.009 1.00 0.00 C ATOM 549 NZ LYS A 92 -6.142 -2.227 -5.421 1.00 0.00 N ATOM 0 H LYS A 92 -4.595 -6.500 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.863 -4.324 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.677 -6.718 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.106 -5.197 -1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.067 -5.096 -4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.676 -5.746 -4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.215 -3.514 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.978 -3.573 -2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.628 -1.770 -3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.442 -3.047 -3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.383 -1.517 -5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.869 -3.055 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.017 -1.818 -5.806 1.00 0.00 H new ATOM 563 N MET A 93 -3.408 -6.660 -1.044 1.00 0.00 N ATOM 564 CA MET A 93 -2.916 -7.394 0.116 1.00 0.00 C ATOM 565 C MET A 93 -1.654 -6.745 0.675 1.00 0.00 C ATOM 566 O MET A 93 -0.874 -6.124 -0.047 1.00 0.00 O ATOM 567 CB MET A 93 -2.632 -8.850 -0.258 1.00 0.00 C ATOM 568 CG MET A 93 -1.411 -9.022 -1.147 1.00 0.00 C ATOM 569 SD MET A 93 -1.059 -10.752 -1.516 1.00 0.00 S ATOM 570 CE MET A 93 -1.409 -11.514 0.066 1.00 0.00 C ATOM 0 H MET A 93 -2.741 -6.590 -1.813 1.00 0.00 H new ATOM 0 HA MET A 93 -3.688 -7.368 0.885 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.492 -9.430 0.654 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.503 -9.262 -0.767 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.566 -8.480 -2.080 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.545 -8.575 -0.659 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.947 -12.500 0.105 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.006 -10.893 0.866 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.487 -11.613 0.191 1.00 0.00 H new ATOM 580 N PRO A 94 -1.446 -6.890 1.992 1.00 0.00 N ATOM 581 CA PRO A 94 -0.280 -6.325 2.677 1.00 0.00 C ATOM 582 C PRO A 94 1.016 -7.033 2.295 1.00 0.00 C ATOM 583 O PRO A 94 1.113 -8.257 2.383 1.00 0.00 O ATOM 584 CB PRO A 94 -0.595 -6.548 4.158 1.00 0.00 C ATOM 585 CG PRO A 94 -1.522 -7.715 4.176 1.00 0.00 C ATOM 586 CD PRO A 94 -2.334 -7.618 2.915 1.00 0.00 C ATOM 0 HA PRO A 94 -0.121 -5.279 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.311 -6.753 4.729 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.059 -5.667 4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.968 -8.653 4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.164 -7.690 5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.595 -8.603 2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.269 -7.082 3.079 1.00 0.00 H new ATOM 594 N GLU A 95 2.008 -6.256 1.872 1.00 0.00 N ATOM 595 CA GLU A 95 3.297 -6.811 1.477 1.00 0.00 C ATOM 596 C GLU A 95 3.847 -7.733 2.561 1.00 0.00 C ATOM 597 O GLU A 95 3.285 -7.833 3.652 1.00 0.00 O ATOM 598 CB GLU A 95 4.295 -5.687 1.194 1.00 0.00 C ATOM 599 CG GLU A 95 3.839 -4.727 0.107 1.00 0.00 C ATOM 600 CD GLU A 95 2.903 -3.655 0.631 1.00 0.00 C ATOM 601 OE1 GLU A 95 3.288 -2.944 1.582 1.00 0.00 O ATOM 602 OE2 GLU A 95 1.785 -3.529 0.088 1.00 0.00 O ATOM 0 H GLU A 95 1.944 -5.241 1.794 1.00 0.00 H new ATOM 0 HA GLU A 95 3.150 -7.394 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.468 -5.127 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.250 -6.125 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.711 -4.254 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.338 -5.288 -0.681 1.00 0.00 H new ATOM 609 N CYS A 96 4.951 -8.406 2.253 1.00 0.00 N ATOM 610 CA CYS A 96 5.579 -9.321 3.198 1.00 0.00 C ATOM 611 C CYS A 96 6.159 -8.561 4.388 1.00 0.00 C ATOM 612 O CYS A 96 7.145 -7.836 4.254 1.00 0.00 O ATOM 613 CB CYS A 96 6.681 -10.126 2.506 1.00 0.00 C ATOM 614 SG CYS A 96 7.283 -11.547 3.474 1.00 0.00 S ATOM 0 H CYS A 96 5.429 -8.334 1.355 1.00 0.00 H new ATOM 0 HA CYS A 96 4.814 -10.006 3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.306 -10.485 1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.520 -9.464 2.292 1.00 0.00 H new ATOM 0 HG CYS A 96 6.999 -12.650 2.848 1.00 0.00 H new ATOM 619 N TYR A 97 5.540 -8.733 5.551 1.00 0.00 N ATOM 620 CA TYR A 97 5.993 -8.063 6.764 1.00 0.00 C ATOM 621 C TYR A 97 7.505 -8.191 6.925 1.00 0.00 C ATOM 622 O TYR A 97 8.178 -7.250 7.346 1.00 0.00 O ATOM 623 CB TYR A 97 5.287 -8.646 7.988 1.00 0.00 C ATOM 624 CG TYR A 97 6.084 -8.516 9.267 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.779 -7.349 9.558 1.00 0.00 C ATOM 626 CD2 TYR A 97 6.142 -9.559 10.182 1.00 0.00 C ATOM 627 CE1 TYR A 97 7.510 -7.225 10.724 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.868 -9.443 11.352 1.00 0.00 C ATOM 629 CZ TYR A 97 7.550 -8.275 11.618 1.00 0.00 C ATOM 630 OH TYR A 97 8.276 -8.156 12.781 1.00 0.00 O ATOM 0 H TYR A 97 4.723 -9.331 5.679 1.00 0.00 H new ATOM 0 HA TYR A 97 5.743 -7.005 6.679 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.327 -8.146 8.116 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.076 -9.700 7.807 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.747 -6.525 8.861 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.611 -10.476 9.976 1.00 0.00 H new ATOM 0 HE1 TYR A 97 8.047 -6.312 10.934 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.901 -10.263 12.054 1.00 0.00 H new ATOM 0 HH TYR A 97 8.200 -8.983 13.300 1.00 0.00 H new ATOM 640 N PHE A 98 8.032 -9.363 6.587 1.00 0.00 N ATOM 641 CA PHE A 98 9.464 -9.617 6.694 1.00 0.00 C ATOM 642 C PHE A 98 10.239 -8.803 5.663 1.00 0.00 C ATOM 643 O PHE A 98 10.950 -7.859 6.008 1.00 0.00 O ATOM 644 CB PHE A 98 9.754 -11.108 6.508 1.00 0.00 C ATOM 645 CG PHE A 98 9.237 -11.964 7.628 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.713 -11.802 8.919 1.00 0.00 C ATOM 647 CD2 PHE A 98 8.275 -12.933 7.389 1.00 0.00 C ATOM 648 CE1 PHE A 98 9.238 -12.588 9.952 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.797 -13.722 8.418 1.00 0.00 C ATOM 650 CZ PHE A 98 8.280 -13.550 9.701 1.00 0.00 C ATOM 0 H PHE A 98 7.489 -10.152 6.237 1.00 0.00 H new ATOM 0 HA PHE A 98 9.789 -9.313 7.689 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.309 -11.442 5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.831 -11.252 6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.464 -11.053 9.121 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.895 -13.073 6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.616 -12.450 10.954 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.046 -14.473 8.219 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.909 -14.167 10.506 1.00 0.00 H new ATOM 660 N TYR A 99 10.097 -9.176 4.396 1.00 0.00 N ATOM 661 CA TYR A 99 10.785 -8.483 3.313 1.00 0.00 C ATOM 662 C TYR A 99 10.456 -6.994 3.323 1.00 0.00 C ATOM 663 O TYR A 99 11.134 -6.192 2.680 1.00 0.00 O ATOM 664 CB TYR A 99 10.401 -9.093 1.964 1.00 0.00 C ATOM 665 CG TYR A 99 11.492 -8.993 0.922 1.00 0.00 C ATOM 666 CD1 TYR A 99 11.622 -7.859 0.130 1.00 0.00 C ATOM 667 CD2 TYR A 99 12.393 -10.033 0.730 1.00 0.00 C ATOM 668 CE1 TYR A 99 12.617 -7.764 -0.824 1.00 0.00 C ATOM 669 CE2 TYR A 99 13.392 -9.946 -0.221 1.00 0.00 C ATOM 670 CZ TYR A 99 13.500 -8.810 -0.995 1.00 0.00 C ATOM 671 OH TYR A 99 14.493 -8.719 -1.943 1.00 0.00 O ATOM 0 H TYR A 99 9.512 -9.955 4.094 1.00 0.00 H new ATOM 0 HA TYR A 99 11.858 -8.600 3.465 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.144 -10.142 2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.507 -8.594 1.591 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.933 -7.038 0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 99 12.311 -10.924 1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 99 12.703 -6.876 -1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 99 14.084 -10.764 -0.357 1.00 0.00 H new ATOM 0 HH TYR A 99 15.029 -9.539 -1.935 1.00 0.00 H new ATOM 681 N SER A 100 9.411 -6.630 4.059 1.00 0.00 N ATOM 682 CA SER A 100 8.988 -5.238 4.152 1.00 0.00 C ATOM 683 C SER A 100 9.665 -4.542 5.329 1.00 0.00 C ATOM 684 O SER A 100 9.912 -3.336 5.295 1.00 0.00 O ATOM 685 CB SER A 100 7.468 -5.152 4.299 1.00 0.00 C ATOM 686 OG SER A 100 7.051 -3.817 4.522 1.00 0.00 O ATOM 0 H SER A 100 8.841 -7.281 4.600 1.00 0.00 H new ATOM 0 HA SER A 100 9.285 -4.732 3.233 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.990 -5.540 3.399 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.144 -5.781 5.128 1.00 0.00 H new ATOM 0 HG SER A 100 6.075 -3.790 4.611 1.00 0.00 H new ATOM 692 N LYS A 101 9.961 -5.311 6.371 1.00 0.00 N ATOM 693 CA LYS A 101 10.610 -4.772 7.561 1.00 0.00 C ATOM 694 C LYS A 101 12.098 -5.107 7.568 1.00 0.00 C ATOM 695 O LYS A 101 12.945 -4.215 7.521 1.00 0.00 O ATOM 696 CB LYS A 101 9.946 -5.324 8.824 1.00 0.00 C ATOM 697 CG LYS A 101 10.219 -4.496 10.067 1.00 0.00 C ATOM 698 CD LYS A 101 11.567 -4.838 10.680 1.00 0.00 C ATOM 699 CE LYS A 101 11.630 -4.438 12.146 1.00 0.00 C ATOM 700 NZ LYS A 101 13.028 -4.175 12.589 1.00 0.00 N ATOM 0 H LYS A 101 9.762 -6.310 6.416 1.00 0.00 H new ATOM 0 HA LYS A 101 10.500 -3.688 7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.869 -5.379 8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.296 -6.343 8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.192 -3.436 9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.431 -4.668 10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.750 -5.908 10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.358 -4.330 10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.024 -3.546 12.306 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.198 -5.230 12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.029 -3.905 13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.600 -5.034 12.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.432 -3.402 12.023 1.00 0.00 H new ATOM 714 N PHE A 102 12.409 -6.398 7.626 1.00 0.00 N ATOM 715 CA PHE A 102 13.795 -6.850 7.639 1.00 0.00 C ATOM 716 C PHE A 102 14.382 -6.845 6.230 1.00 0.00 C ATOM 717 O PHE A 102 15.581 -6.641 6.046 1.00 0.00 O ATOM 718 CB PHE A 102 13.890 -8.255 8.238 1.00 0.00 C ATOM 719 CG PHE A 102 13.271 -8.368 9.601 1.00 0.00 C ATOM 720 CD1 PHE A 102 11.906 -8.561 9.743 1.00 0.00 C ATOM 721 CD2 PHE A 102 14.054 -8.282 10.741 1.00 0.00 C ATOM 722 CE1 PHE A 102 11.334 -8.665 10.997 1.00 0.00 C ATOM 723 CE2 PHE A 102 13.487 -8.385 11.998 1.00 0.00 C ATOM 724 CZ PHE A 102 12.126 -8.578 12.126 1.00 0.00 C ATOM 0 H PHE A 102 11.720 -7.149 7.665 1.00 0.00 H new ATOM 0 HA PHE A 102 14.370 -6.160 8.256 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.402 -8.961 7.566 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.939 -8.545 8.299 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.282 -8.631 8.864 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.119 -8.133 10.647 1.00 0.00 H new ATOM 0 HE1 PHE A 102 10.269 -8.814 11.094 1.00 0.00 H new ATOM 0 HE2 PHE A 102 14.108 -8.315 12.879 1.00 0.00 H new ATOM 0 HZ PHE A 102 11.681 -8.661 13.107 1.00 0.00 H new ATOM 734 N GLY A 103 13.526 -7.071 5.238 1.00 0.00 N ATOM 735 CA GLY A 103 13.977 -7.089 3.859 1.00 0.00 C ATOM 736 C GLY A 103 14.725 -8.361 3.510 1.00 0.00 C ATOM 737 O GLY A 103 15.660 -8.339 2.711 1.00 0.00 O ATOM 0 H GLY A 103 12.528 -7.242 5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.117 -6.984 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.624 -6.230 3.680 1.00 0.00 H new ATOM 741 N GLU A 104 14.312 -9.472 4.112 1.00 0.00 N ATOM 742 CA GLU A 104 14.951 -10.759 3.861 1.00 0.00 C ATOM 743 C GLU A 104 13.955 -11.903 4.024 1.00 0.00 C ATOM 744 O GLU A 104 13.477 -12.173 5.126 1.00 0.00 O ATOM 745 CB GLU A 104 16.134 -10.959 4.811 1.00 0.00 C ATOM 746 CG GLU A 104 16.961 -9.702 5.027 1.00 0.00 C ATOM 747 CD GLU A 104 18.296 -9.989 5.685 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.943 -10.988 5.308 1.00 0.00 O ATOM 749 OE2 GLU A 104 18.695 -9.212 6.579 1.00 0.00 O ATOM 0 H GLU A 104 13.539 -9.507 4.776 1.00 0.00 H new ATOM 0 HA GLU A 104 15.314 -10.761 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.761 -11.308 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.778 -11.744 4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.131 -9.214 4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.398 -9.003 5.645 1.00 0.00 H new ATOM 756 N CYS A 105 13.646 -12.572 2.918 1.00 0.00 N ATOM 757 CA CYS A 105 12.706 -13.686 2.936 1.00 0.00 C ATOM 758 C CYS A 105 13.189 -14.820 2.036 1.00 0.00 C ATOM 759 O CYS A 105 13.397 -14.630 0.838 1.00 0.00 O ATOM 760 CB CYS A 105 11.320 -13.219 2.486 1.00 0.00 C ATOM 761 SG CYS A 105 9.953 -14.268 3.077 1.00 0.00 S ATOM 0 H CYS A 105 14.033 -12.362 1.998 1.00 0.00 H new ATOM 0 HA CYS A 105 12.643 -14.058 3.958 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.160 -12.200 2.838 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.295 -13.188 1.397 1.00 0.00 H new ATOM 0 HG CYS A 105 8.896 -13.536 3.268 1.00 0.00 H new ATOM 766 N SER A 106 13.366 -15.999 2.624 1.00 0.00 N ATOM 767 CA SER A 106 13.829 -17.163 1.877 1.00 0.00 C ATOM 768 C SER A 106 12.651 -18.025 1.430 1.00 0.00 C ATOM 769 O SER A 106 12.729 -19.252 1.437 1.00 0.00 O ATOM 770 CB SER A 106 14.789 -17.994 2.730 1.00 0.00 C ATOM 771 OG SER A 106 14.168 -18.417 3.931 1.00 0.00 O ATOM 0 H SER A 106 13.196 -16.173 3.614 1.00 0.00 H new ATOM 0 HA SER A 106 14.356 -16.809 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.124 -18.863 2.164 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.676 -17.405 2.963 1.00 0.00 H new ATOM 0 HG SER A 106 14.802 -18.948 4.458 1.00 0.00 H new ATOM 777 N ASN A 107 11.561 -17.371 1.041 1.00 0.00 N ATOM 778 CA ASN A 107 10.367 -18.076 0.591 1.00 0.00 C ATOM 779 C ASN A 107 10.139 -17.863 -0.902 1.00 0.00 C ATOM 780 O ASN A 107 9.812 -16.759 -1.340 1.00 0.00 O ATOM 781 CB ASN A 107 9.143 -17.602 1.378 1.00 0.00 C ATOM 782 CG ASN A 107 9.049 -18.250 2.746 1.00 0.00 C ATOM 783 OD1 ASN A 107 9.997 -18.881 3.213 1.00 0.00 O ATOM 784 ND2 ASN A 107 7.901 -18.095 3.396 1.00 0.00 N ATOM 0 H ASN A 107 11.480 -16.354 1.029 1.00 0.00 H new ATOM 0 HA ASN A 107 10.516 -19.141 0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.186 -16.519 1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.240 -17.826 0.810 1.00 0.00 H new ATOM 0 HD21 ASN A 107 7.779 -18.507 4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.142 -17.564 2.970 1.00 0.00 H new ATOM 791 N LYS A 108 10.313 -18.926 -1.679 1.00 0.00 N ATOM 792 CA LYS A 108 10.125 -18.858 -3.124 1.00 0.00 C ATOM 793 C LYS A 108 8.643 -18.783 -3.476 1.00 0.00 C ATOM 794 O LYS A 108 8.254 -18.091 -4.417 1.00 0.00 O ATOM 795 CB LYS A 108 10.761 -20.075 -3.799 1.00 0.00 C ATOM 796 CG LYS A 108 10.198 -21.401 -3.318 1.00 0.00 C ATOM 797 CD LYS A 108 11.171 -22.542 -3.564 1.00 0.00 C ATOM 798 CE LYS A 108 10.576 -23.880 -3.154 1.00 0.00 C ATOM 799 NZ LYS A 108 11.536 -25.000 -3.358 1.00 0.00 N ATOM 0 H LYS A 108 10.584 -19.846 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 108 10.612 -17.953 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.617 -19.998 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.836 -20.059 -3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.973 -21.337 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.258 -21.606 -3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.440 -22.571 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.090 -22.365 -3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.282 -23.840 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.671 -24.067 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.093 -25.895 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.798 -25.054 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.389 -24.834 -2.787 1.00 0.00 H new ATOM 813 N GLU A 109 7.821 -19.499 -2.715 1.00 0.00 N ATOM 814 CA GLU A 109 6.382 -19.512 -2.949 1.00 0.00 C ATOM 815 C GLU A 109 5.657 -18.639 -1.929 1.00 0.00 C ATOM 816 O GLU A 109 4.609 -19.016 -1.405 1.00 0.00 O ATOM 817 CB GLU A 109 5.846 -20.944 -2.883 1.00 0.00 C ATOM 818 CG GLU A 109 6.238 -21.796 -4.079 1.00 0.00 C ATOM 819 CD GLU A 109 5.237 -21.703 -5.215 1.00 0.00 C ATOM 820 OE1 GLU A 109 4.187 -22.375 -5.138 1.00 0.00 O ATOM 821 OE2 GLU A 109 5.505 -20.958 -6.181 1.00 0.00 O ATOM 0 H GLU A 109 8.127 -20.077 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 109 6.198 -19.107 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.213 -21.419 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.759 -20.913 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.219 -21.483 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.330 -22.836 -3.765 1.00 0.00 H new ATOM 828 N CYS A 110 6.225 -17.470 -1.651 1.00 0.00 N ATOM 829 CA CYS A 110 5.635 -16.542 -0.694 1.00 0.00 C ATOM 830 C CYS A 110 4.451 -15.803 -1.311 1.00 0.00 C ATOM 831 O CYS A 110 4.589 -15.058 -2.281 1.00 0.00 O ATOM 832 CB CYS A 110 6.684 -15.536 -0.215 1.00 0.00 C ATOM 833 SG CYS A 110 6.351 -14.845 1.438 1.00 0.00 S ATOM 0 H CYS A 110 7.093 -17.143 -2.075 1.00 0.00 H new ATOM 0 HA CYS A 110 5.276 -17.118 0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.660 -16.022 -0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.743 -14.719 -0.934 1.00 0.00 H new ATOM 0 HG CYS A 110 7.476 -14.625 2.051 1.00 0.00 H new ATOM 838 N PRO A 111 3.257 -16.014 -0.736 1.00 0.00 N ATOM 839 CA PRO A 111 2.026 -15.377 -1.211 1.00 0.00 C ATOM 840 C PRO A 111 2.004 -13.878 -0.934 1.00 0.00 C ATOM 841 O PRO A 111 1.015 -13.200 -1.213 1.00 0.00 O ATOM 842 CB PRO A 111 0.929 -16.085 -0.412 1.00 0.00 C ATOM 843 CG PRO A 111 1.608 -16.559 0.827 1.00 0.00 C ATOM 844 CD PRO A 111 3.019 -16.890 0.424 1.00 0.00 C ATOM 0 HA PRO A 111 1.911 -15.467 -2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.109 -15.406 -0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.505 -16.917 -0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.593 -15.790 1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.104 -17.434 1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.725 -16.690 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.125 -17.942 0.161 1.00 0.00 H new ATOM 852 N PHE A 112 3.100 -13.367 -0.384 1.00 0.00 N ATOM 853 CA PHE A 112 3.206 -11.947 -0.069 1.00 0.00 C ATOM 854 C PHE A 112 4.033 -11.216 -1.123 1.00 0.00 C ATOM 855 O PHE A 112 4.645 -11.840 -1.991 1.00 0.00 O ATOM 856 CB PHE A 112 3.836 -11.755 1.312 1.00 0.00 C ATOM 857 CG PHE A 112 2.859 -11.908 2.443 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.752 -11.080 2.536 1.00 0.00 C ATOM 859 CD2 PHE A 112 3.048 -12.879 3.413 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.851 -11.218 3.575 1.00 0.00 C ATOM 861 CE2 PHE A 112 2.150 -13.022 4.454 1.00 0.00 C ATOM 862 CZ PHE A 112 1.051 -12.190 4.536 1.00 0.00 C ATOM 0 H PHE A 112 3.927 -13.915 -0.147 1.00 0.00 H new ATOM 0 HA PHE A 112 2.201 -11.526 -0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.642 -12.478 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.286 -10.763 1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.591 -10.318 1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.907 -13.532 3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.008 -10.567 3.635 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.308 -13.784 5.203 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.349 -12.299 5.350 1.00 0.00 H new ATOM 872 N LEU A 113 4.045 -9.890 -1.042 1.00 0.00 N ATOM 873 CA LEU A 113 4.795 -9.072 -1.989 1.00 0.00 C ATOM 874 C LEU A 113 6.238 -8.892 -1.528 1.00 0.00 C ATOM 875 O LEU A 113 6.496 -8.582 -0.364 1.00 0.00 O ATOM 876 CB LEU A 113 4.127 -7.707 -2.155 1.00 0.00 C ATOM 877 CG LEU A 113 2.711 -7.718 -2.732 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.688 -7.950 -1.631 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.423 -6.416 -3.465 1.00 0.00 C ATOM 0 H LEU A 113 3.544 -9.358 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 113 4.801 -9.586 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.097 -7.219 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.756 -7.093 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 113 2.637 -8.537 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.686 -7.955 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.881 -8.909 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.762 -7.153 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.411 -6.442 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.516 -5.580 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.136 -6.292 -4.280 1.00 0.00 H new ATOM 891 N HIS A 114 7.177 -9.087 -2.449 1.00 0.00 N ATOM 892 CA HIS A 114 8.595 -8.943 -2.138 1.00 0.00 C ATOM 893 C HIS A 114 9.190 -7.739 -2.862 1.00 0.00 C ATOM 894 O HIS A 114 9.587 -7.835 -4.024 1.00 0.00 O ATOM 895 CB HIS A 114 9.355 -10.212 -2.525 1.00 0.00 C ATOM 896 CG HIS A 114 9.424 -11.227 -1.426 1.00 0.00 C ATOM 897 ND1 HIS A 114 9.935 -12.495 -1.604 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.044 -11.155 -0.129 1.00 0.00 C ATOM 899 CE1 HIS A 114 9.865 -13.160 -0.465 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.328 -12.368 0.447 1.00 0.00 N ATOM 0 H HIS A 114 6.982 -9.345 -3.416 1.00 0.00 H new ATOM 0 HA HIS A 114 8.692 -8.784 -1.064 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.876 -10.662 -3.394 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.368 -9.942 -2.824 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.600 -10.302 0.362 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.191 -14.177 -0.306 1.00 0.00 H new ATOM 0 HE2 HIS A 114 9.153 -12.618 1.420 1.00 0.00 H new ATOM 908 N ILE A 115 9.248 -6.607 -2.168 1.00 0.00 N ATOM 909 CA ILE A 115 9.795 -5.385 -2.745 1.00 0.00 C ATOM 910 C ILE A 115 11.136 -5.030 -2.110 1.00 0.00 C ATOM 911 O ILE A 115 11.337 -5.223 -0.911 1.00 0.00 O ATOM 912 CB ILE A 115 8.828 -4.199 -2.573 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.466 -4.531 -3.184 1.00 0.00 C ATOM 914 CG2 ILE A 115 9.409 -2.945 -3.209 1.00 0.00 C ATOM 915 CD1 ILE A 115 6.367 -3.578 -2.767 1.00 0.00 C ATOM 0 H ILE A 115 8.923 -6.511 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 115 9.938 -5.575 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 115 8.691 -4.012 -1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.552 -4.520 -4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 115 7.185 -5.544 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.714 -2.116 -3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 115 10.358 -2.701 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.572 -3.119 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.430 -3.875 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 115 6.253 -3.606 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.625 -2.566 -3.079 1.00 0.00 H new ATOM 927 N ASP A 116 12.049 -4.508 -2.922 1.00 0.00 N ATOM 928 CA ASP A 116 13.370 -4.123 -2.440 1.00 0.00 C ATOM 929 C ASP A 116 13.262 -3.060 -1.351 1.00 0.00 C ATOM 930 O ASP A 116 12.449 -2.139 -1.427 1.00 0.00 O ATOM 931 CB ASP A 116 14.225 -3.601 -3.596 1.00 0.00 C ATOM 932 CG ASP A 116 15.711 -3.702 -3.308 1.00 0.00 C ATOM 933 OD1 ASP A 116 16.277 -4.801 -3.488 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.307 -2.682 -2.904 1.00 0.00 O ATOM 0 H ASP A 116 11.898 -4.342 -3.917 1.00 0.00 H new ATOM 0 HA ASP A 116 13.847 -5.006 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.994 -4.166 -4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.966 -2.561 -3.795 1.00 0.00 H new