USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 99 MET CE :methyl 163:sc=-0.00635 (180deg=-0.244) USER MOD Set 1.2: A 119 GLN : amide:sc= 0 X(o=-0.0064,f=-0.22) USER MOD Set 2.1: A 85 GLN : amide:sc= 2.26 K(o=3.5,f=-5.9!) USER MOD Set 2.2: A 125 SER OG : rot 73:sc= 1.24 USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 113 CYS SG : rot -19:sc= 0.669 USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.13) USER MOD Single : A 23 HIS : no HE2:sc= 0.451 K(o=0.45,f=-1.8!) USER MOD Single : A 27 TYR OH : rot -149:sc= 0.0101 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.0484 K(o=-0.048,f=-0.75) USER MOD Single : A 57 SER OG : rot 180:sc= -0.548 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 87:sc= 0.0217 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.796 K(o=0.8,f=-0.68) USER MOD Single : A 78 ASN : amide:sc= 0.777 K(o=0.78,f=-2.6) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 62:sc= 1.27 USER MOD Single : A 95 SER OG : rot 68:sc= 0.0907 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.055) USER MOD Single : A 103 LYS NZ :NH3+ -125:sc= 0.145 (180deg=-0.00334) USER MOD Single : A 104 MET CE :methyl -175:sc= 0 (180deg=-0.0476) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.108 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.831 K(o=0.83,f=-0.019) USER MOD Single : A 115 HIS : no HE2:sc= 0.672 K(o=0.67,f=-3.5!) USER MOD Single : A 118 THR OG1 : rot 78:sc= 1.33 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 5.897 -2.648 5.957 1.00 0.00 N ATOM 90 CA GLU A 7 5.914 -1.780 7.144 1.00 0.00 C ATOM 91 C GLU A 7 4.469 -1.401 7.549 1.00 0.00 C ATOM 92 O GLU A 7 3.713 -0.935 6.688 1.00 0.00 O ATOM 93 CB GLU A 7 6.754 -0.517 6.871 1.00 0.00 C ATOM 94 CG GLU A 7 7.001 0.297 8.145 1.00 0.00 C ATOM 95 CD GLU A 7 7.895 1.506 7.858 1.00 0.00 C ATOM 96 OE1 GLU A 7 7.381 2.518 7.326 1.00 0.00 O ATOM 97 OE2 GLU A 7 9.111 1.459 8.160 1.00 0.00 O ATOM 0 HA GLU A 7 6.372 -2.323 7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.710 -0.805 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.243 0.106 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.049 0.633 8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.469 -0.335 8.900 1.00 0.00 H new ATOM 104 N PRO A 8 4.071 -1.571 8.827 1.00 0.00 N ATOM 105 CA PRO A 8 2.770 -1.136 9.340 1.00 0.00 C ATOM 106 C PRO A 8 2.746 0.387 9.542 1.00 0.00 C ATOM 107 O PRO A 8 3.744 0.986 9.944 1.00 0.00 O ATOM 108 CB PRO A 8 2.587 -1.885 10.663 1.00 0.00 C ATOM 109 CG PRO A 8 4.021 -2.020 11.169 1.00 0.00 C ATOM 110 CD PRO A 8 4.825 -2.228 9.887 1.00 0.00 C ATOM 0 HA PRO A 8 1.959 -1.357 8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.961 -1.329 11.361 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.115 -2.857 10.517 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.344 -1.129 11.707 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.129 -2.862 11.853 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.823 -1.799 9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.952 -3.289 9.675 1.00 0.00 H new ATOM 118 N LYS A 9 1.598 1.021 9.274 1.00 0.00 N ATOM 119 CA LYS A 9 1.442 2.487 9.288 1.00 0.00 C ATOM 120 C LYS A 9 0.414 2.942 10.358 1.00 0.00 C ATOM 121 O LYS A 9 -0.673 2.359 10.425 1.00 0.00 O ATOM 122 CB LYS A 9 1.020 2.958 7.884 1.00 0.00 C ATOM 123 CG LYS A 9 1.956 2.565 6.728 1.00 0.00 C ATOM 124 CD LYS A 9 3.396 3.073 6.897 1.00 0.00 C ATOM 125 CE LYS A 9 4.149 2.951 5.563 1.00 0.00 C ATOM 126 NZ LYS A 9 5.482 3.616 5.610 1.00 0.00 N ATOM 0 H LYS A 9 0.738 0.527 9.038 1.00 0.00 H new ATOM 0 HA LYS A 9 2.396 2.941 9.554 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.028 2.560 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.931 4.044 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.972 1.479 6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.550 2.956 5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.389 4.112 7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.907 2.496 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.278 1.897 5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.551 3.395 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.882 3.659 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.376 4.580 5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.119 3.073 6.227 1.00 0.00 H new ATOM 140 N PRO A 10 0.722 3.957 11.197 1.00 0.00 N ATOM 141 CA PRO A 10 -0.127 4.355 12.322 1.00 0.00 C ATOM 142 C PRO A 10 -1.436 4.986 11.836 1.00 0.00 C ATOM 143 O PRO A 10 -1.444 5.822 10.934 1.00 0.00 O ATOM 144 CB PRO A 10 0.734 5.278 13.190 1.00 0.00 C ATOM 145 CG PRO A 10 1.685 5.910 12.176 1.00 0.00 C ATOM 146 CD PRO A 10 1.934 4.769 11.187 1.00 0.00 C ATOM 0 HA PRO A 10 -0.457 3.503 12.917 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.132 6.029 13.702 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.273 4.723 13.958 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.239 6.777 11.689 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.609 6.248 12.645 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.136 5.156 10.188 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.802 4.179 11.482 1.00 0.00 H new ATOM 154 N GLY A 11 -2.548 4.531 12.427 1.00 0.00 N ATOM 155 CA GLY A 11 -3.914 4.918 12.050 1.00 0.00 C ATOM 156 C GLY A 11 -4.487 4.170 10.847 1.00 0.00 C ATOM 157 O GLY A 11 -5.649 4.389 10.509 1.00 0.00 O ATOM 0 H GLY A 11 -2.522 3.867 13.200 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.570 4.757 12.905 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.927 5.986 11.835 1.00 0.00 H new ATOM 161 N ASP A 12 -3.696 3.312 10.196 1.00 0.00 N ATOM 162 CA ASP A 12 -4.103 2.543 9.022 1.00 0.00 C ATOM 163 C ASP A 12 -4.367 1.060 9.330 1.00 0.00 C ATOM 164 O ASP A 12 -4.069 0.539 10.414 1.00 0.00 O ATOM 165 CB ASP A 12 -3.084 2.727 7.890 1.00 0.00 C ATOM 166 CG ASP A 12 -3.085 4.157 7.331 1.00 0.00 C ATOM 167 OD1 ASP A 12 -4.143 4.572 6.798 1.00 0.00 O ATOM 168 OD2 ASP A 12 -2.028 4.829 7.382 1.00 0.00 O ATOM 0 H ASP A 12 -2.733 3.130 10.479 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.063 2.939 8.691 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.087 2.484 8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.307 2.025 7.086 1.00 0.00 H new ATOM 173 N LEU A 13 -4.977 0.404 8.336 1.00 0.00 N ATOM 174 CA LEU A 13 -5.543 -0.935 8.420 1.00 0.00 C ATOM 175 C LEU A 13 -4.616 -1.988 7.854 1.00 0.00 C ATOM 176 O LEU A 13 -4.402 -2.062 6.649 1.00 0.00 O ATOM 177 CB LEU A 13 -6.882 -0.963 7.666 1.00 0.00 C ATOM 178 CG LEU A 13 -7.896 0.061 8.171 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.186 -0.087 7.365 1.00 0.00 C ATOM 180 CD2 LEU A 13 -8.183 -0.156 9.659 1.00 0.00 C ATOM 0 H LEU A 13 -5.091 0.817 7.410 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.692 -1.170 9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.696 -0.784 6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.314 -1.960 7.749 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.490 1.065 8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.919 0.639 7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.978 0.088 6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.582 -1.094 7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.908 0.583 10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.587 -1.157 9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.259 -0.048 10.227 1.00 0.00 H new ATOM 192 N ILE A 14 -4.127 -2.846 8.732 1.00 0.00 N ATOM 193 CA ILE A 14 -3.298 -4.002 8.396 1.00 0.00 C ATOM 194 C ILE A 14 -4.214 -5.218 8.191 1.00 0.00 C ATOM 195 O ILE A 14 -5.031 -5.517 9.061 1.00 0.00 O ATOM 196 CB ILE A 14 -2.248 -4.275 9.502 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.669 -3.019 10.205 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.100 -5.085 8.870 1.00 0.00 C ATOM 199 CD1 ILE A 14 -0.854 -3.357 11.457 1.00 0.00 C ATOM 0 H ILE A 14 -4.299 -2.759 9.734 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.747 -3.801 7.477 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.767 -4.817 10.293 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.037 -2.475 9.503 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.487 -2.353 10.479 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.343 -5.293 9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.490 -6.024 8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.654 -4.511 8.058 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.476 -2.438 11.904 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.489 -3.875 12.176 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.017 -3.999 11.184 1.00 0.00 H new ATOM 211 N GLU A 15 -4.085 -5.915 7.062 1.00 0.00 N ATOM 212 CA GLU A 15 -4.723 -7.210 6.815 1.00 0.00 C ATOM 213 C GLU A 15 -3.751 -8.306 7.268 1.00 0.00 C ATOM 214 O GLU A 15 -2.655 -8.424 6.716 1.00 0.00 O ATOM 215 CB GLU A 15 -5.056 -7.395 5.324 1.00 0.00 C ATOM 216 CG GLU A 15 -6.114 -6.412 4.828 1.00 0.00 C ATOM 217 CD GLU A 15 -6.486 -6.676 3.361 1.00 0.00 C ATOM 218 OE1 GLU A 15 -5.638 -6.451 2.463 1.00 0.00 O ATOM 219 OE2 GLU A 15 -7.637 -7.084 3.078 1.00 0.00 O ATOM 0 H GLU A 15 -3.522 -5.589 6.276 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.660 -7.264 7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.147 -7.271 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.407 -8.414 5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.005 -6.491 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.742 -5.393 4.932 1.00 0.00 H new ATOM 226 N ILE A 16 -4.139 -9.093 8.274 1.00 0.00 N ATOM 227 CA ILE A 16 -3.347 -10.190 8.852 1.00 0.00 C ATOM 228 C ILE A 16 -3.929 -11.527 8.389 1.00 0.00 C ATOM 229 O ILE A 16 -5.023 -11.899 8.825 1.00 0.00 O ATOM 230 CB ILE A 16 -3.350 -10.131 10.405 1.00 0.00 C ATOM 231 CG1 ILE A 16 -3.193 -8.729 11.037 1.00 0.00 C ATOM 232 CG2 ILE A 16 -2.284 -11.107 10.943 1.00 0.00 C ATOM 233 CD1 ILE A 16 -1.927 -7.961 10.651 1.00 0.00 C ATOM 0 H ILE A 16 -5.046 -8.983 8.728 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.316 -10.089 8.512 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.353 -10.429 10.710 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.059 -8.127 10.760 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.214 -8.836 12.122 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.277 -11.074 12.032 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.517 -12.119 10.612 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.303 -10.819 10.565 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.922 -6.993 11.152 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.049 -8.531 10.955 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.907 -7.811 9.571 1.00 0.00 H new ATOM 245 N PHE A 17 -3.210 -12.289 7.560 1.00 0.00 N ATOM 246 CA PHE A 17 -3.634 -13.639 7.176 1.00 0.00 C ATOM 247 C PHE A 17 -3.254 -14.637 8.279 1.00 0.00 C ATOM 248 O PHE A 17 -2.317 -15.423 8.134 1.00 0.00 O ATOM 249 CB PHE A 17 -3.090 -14.018 5.790 1.00 0.00 C ATOM 250 CG PHE A 17 -3.618 -15.350 5.274 1.00 0.00 C ATOM 251 CD1 PHE A 17 -5.002 -15.535 5.076 1.00 0.00 C ATOM 252 CD2 PHE A 17 -2.735 -16.418 5.020 1.00 0.00 C ATOM 253 CE1 PHE A 17 -5.499 -16.777 4.640 1.00 0.00 C ATOM 254 CE2 PHE A 17 -3.232 -17.657 4.573 1.00 0.00 C ATOM 255 CZ PHE A 17 -4.613 -17.838 4.386 1.00 0.00 C ATOM 0 H PHE A 17 -2.329 -11.993 7.141 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.719 -13.668 7.081 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.350 -13.233 5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.002 -14.060 5.835 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.684 -14.718 5.260 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.673 -16.286 5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.561 -16.915 4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.550 -18.470 4.373 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.993 -18.791 4.048 1.00 0.00 H new ATOM 265 N ARG A 18 -3.991 -14.608 9.400 1.00 0.00 N ATOM 266 CA ARG A 18 -3.736 -15.444 10.590 1.00 0.00 C ATOM 267 C ARG A 18 -4.017 -16.955 10.388 1.00 0.00 C ATOM 268 O ARG A 18 -3.877 -17.728 11.336 1.00 0.00 O ATOM 269 CB ARG A 18 -4.472 -14.859 11.814 1.00 0.00 C ATOM 270 CG ARG A 18 -3.519 -14.531 12.974 1.00 0.00 C ATOM 271 CD ARG A 18 -2.834 -15.752 13.603 1.00 0.00 C ATOM 272 NE ARG A 18 -1.967 -15.342 14.724 1.00 0.00 N ATOM 273 CZ ARG A 18 -1.324 -16.141 15.567 1.00 0.00 C ATOM 274 NH1 ARG A 18 -1.361 -17.450 15.441 1.00 0.00 N ATOM 275 NH2 ARG A 18 -0.626 -15.629 16.562 1.00 0.00 N ATOM 0 H ARG A 18 -4.797 -13.992 9.510 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.663 -15.406 10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.002 -13.954 11.517 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.224 -15.571 12.156 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.752 -13.846 12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.078 -14.005 13.748 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.587 -16.456 13.957 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.242 -16.272 12.850 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.849 -14.339 14.866 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.893 -17.874 14.681 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.858 -18.041 16.103 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.580 -14.617 16.685 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.133 -16.245 17.209 1.00 0.00 H new ATOM 289 N LEU A 19 -4.379 -17.345 9.153 1.00 0.00 N ATOM 290 CA LEU A 19 -4.319 -18.659 8.484 1.00 0.00 C ATOM 291 C LEU A 19 -5.706 -19.315 8.451 1.00 0.00 C ATOM 292 O LEU A 19 -6.381 -19.424 9.476 1.00 0.00 O ATOM 293 CB LEU A 19 -3.235 -19.599 9.054 1.00 0.00 C ATOM 294 CG LEU A 19 -1.809 -19.008 8.988 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.877 -19.813 9.905 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.247 -19.002 7.560 1.00 0.00 C ATOM 0 H LEU A 19 -4.773 -16.653 8.515 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.008 -18.472 7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.476 -19.831 10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.256 -20.540 8.504 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.867 -17.972 9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.129 -19.396 9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.243 -19.763 10.930 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.854 -20.853 9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.243 -18.577 7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.207 -20.023 7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.891 -18.401 6.918 1.00 0.00 H new ATOM 308 N GLY A 20 -6.142 -19.711 7.247 1.00 0.00 N ATOM 309 CA GLY A 20 -7.517 -20.159 6.971 1.00 0.00 C ATOM 310 C GLY A 20 -8.542 -19.013 6.923 1.00 0.00 C ATOM 311 O GLY A 20 -9.711 -19.247 6.615 1.00 0.00 O ATOM 0 H GLY A 20 -5.541 -19.730 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.533 -20.689 6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.818 -20.872 7.738 1.00 0.00 H new ATOM 315 N TYR A 21 -8.102 -17.781 7.208 1.00 0.00 N ATOM 316 CA TYR A 21 -8.895 -16.557 7.372 1.00 0.00 C ATOM 317 C TYR A 21 -7.977 -15.317 7.479 1.00 0.00 C ATOM 318 O TYR A 21 -6.785 -15.445 7.784 1.00 0.00 O ATOM 319 CB TYR A 21 -9.794 -16.685 8.618 1.00 0.00 C ATOM 320 CG TYR A 21 -10.789 -15.551 8.804 1.00 0.00 C ATOM 321 CD1 TYR A 21 -11.723 -15.254 7.792 1.00 0.00 C ATOM 322 CD2 TYR A 21 -10.768 -14.774 9.981 1.00 0.00 C ATOM 323 CE1 TYR A 21 -12.610 -14.169 7.940 1.00 0.00 C ATOM 324 CE2 TYR A 21 -11.657 -13.693 10.140 1.00 0.00 C ATOM 325 CZ TYR A 21 -12.579 -13.382 9.112 1.00 0.00 C ATOM 326 OH TYR A 21 -13.437 -12.334 9.250 1.00 0.00 O ATOM 0 H TYR A 21 -7.107 -17.601 7.340 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.527 -16.425 6.494 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.343 -17.625 8.558 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.160 -16.742 9.502 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.759 -15.860 6.899 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.065 -15.010 10.766 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.315 -13.939 7.155 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.635 -13.103 11.044 1.00 0.00 H new ATOM 0 HH TYR A 21 -13.285 -11.898 10.115 1.00 0.00 H new ATOM 336 N GLU A 22 -8.527 -14.126 7.229 1.00 0.00 N ATOM 337 CA GLU A 22 -7.808 -12.851 7.237 1.00 0.00 C ATOM 338 C GLU A 22 -8.519 -11.839 8.149 1.00 0.00 C ATOM 339 O GLU A 22 -9.720 -11.600 8.019 1.00 0.00 O ATOM 340 CB GLU A 22 -7.695 -12.340 5.793 1.00 0.00 C ATOM 341 CG GLU A 22 -6.717 -11.172 5.636 1.00 0.00 C ATOM 342 CD GLU A 22 -6.366 -10.965 4.153 1.00 0.00 C ATOM 343 OE1 GLU A 22 -7.290 -10.812 3.317 1.00 0.00 O ATOM 344 OE2 GLU A 22 -5.160 -10.981 3.807 1.00 0.00 O ATOM 0 H GLU A 22 -9.517 -14.020 7.008 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.804 -12.988 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.377 -13.160 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.681 -12.028 5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.158 -10.262 6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.810 -11.369 6.207 1.00 0.00 H new ATOM 351 N HIS A 23 -7.775 -11.247 9.084 1.00 0.00 N ATOM 352 CA HIS A 23 -8.282 -10.304 10.089 1.00 0.00 C ATOM 353 C HIS A 23 -7.813 -8.863 9.807 1.00 0.00 C ATOM 354 O HIS A 23 -6.714 -8.659 9.291 1.00 0.00 O ATOM 355 CB HIS A 23 -7.750 -10.696 11.482 1.00 0.00 C ATOM 356 CG HIS A 23 -8.161 -12.048 12.011 1.00 0.00 C ATOM 357 ND1 HIS A 23 -8.934 -12.279 13.127 1.00 0.00 N ATOM 358 CD2 HIS A 23 -7.695 -13.265 11.586 1.00 0.00 C ATOM 359 CE1 HIS A 23 -8.918 -13.602 13.372 1.00 0.00 C ATOM 360 NE2 HIS A 23 -8.175 -14.251 12.456 1.00 0.00 N ATOM 0 H HIS A 23 -6.772 -11.414 9.168 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.370 -10.346 10.049 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.661 -10.659 11.452 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.075 -9.939 12.195 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -9.430 -11.573 13.671 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.064 -13.434 10.726 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.432 -14.079 14.193 1.00 0.00 H new ATOM 368 N TRP A 24 -8.603 -7.865 10.219 1.00 0.00 N ATOM 369 CA TRP A 24 -8.166 -6.465 10.220 1.00 0.00 C ATOM 370 C TRP A 24 -7.508 -6.094 11.555 1.00 0.00 C ATOM 371 O TRP A 24 -7.981 -6.502 12.623 1.00 0.00 O ATOM 372 CB TRP A 24 -9.354 -5.524 10.007 1.00 0.00 C ATOM 373 CG TRP A 24 -9.940 -5.455 8.633 1.00 0.00 C ATOM 374 CD1 TRP A 24 -11.201 -5.808 8.314 1.00 0.00 C ATOM 375 CD2 TRP A 24 -9.363 -4.908 7.407 1.00 0.00 C ATOM 376 NE1 TRP A 24 -11.441 -5.558 6.982 1.00 0.00 N ATOM 377 CE2 TRP A 24 -10.354 -4.963 6.379 1.00 0.00 C ATOM 378 CE3 TRP A 24 -8.117 -4.343 7.062 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -10.126 -4.470 5.085 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -7.887 -3.822 5.774 1.00 0.00 C ATOM 381 CH2 TRP A 24 -8.884 -3.888 4.786 1.00 0.00 C ATOM 0 H TRP A 24 -9.555 -8.003 10.558 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.448 -6.356 9.407 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.145 -5.819 10.696 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.043 -4.519 10.291 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.919 -6.226 9.004 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.312 -5.784 6.502 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -7.327 -4.310 7.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -10.895 -4.537 4.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.935 -3.367 5.543 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.695 -3.492 3.799 1.00 0.00 H new ATOM 392 N ALA A 25 -6.493 -5.230 11.502 1.00 0.00 N ATOM 393 CA ALA A 25 -5.889 -4.597 12.673 1.00 0.00 C ATOM 394 C ALA A 25 -5.570 -3.114 12.416 1.00 0.00 C ATOM 395 O ALA A 25 -5.032 -2.768 11.368 1.00 0.00 O ATOM 396 CB ALA A 25 -4.642 -5.402 13.068 1.00 0.00 C ATOM 0 H ALA A 25 -6.059 -4.945 10.624 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.596 -4.605 13.503 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.176 -4.946 13.941 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.930 -6.426 13.304 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.934 -5.406 12.239 1.00 0.00 H new ATOM 402 N LEU A 26 -5.890 -2.241 13.374 1.00 0.00 N ATOM 403 CA LEU A 26 -5.563 -0.813 13.371 1.00 0.00 C ATOM 404 C LEU A 26 -4.274 -0.610 14.173 1.00 0.00 C ATOM 405 O LEU A 26 -4.258 -0.907 15.366 1.00 0.00 O ATOM 406 CB LEU A 26 -6.753 -0.051 14.000 1.00 0.00 C ATOM 407 CG LEU A 26 -6.829 1.478 13.794 1.00 0.00 C ATOM 408 CD1 LEU A 26 -5.576 2.258 14.205 1.00 0.00 C ATOM 409 CD2 LEU A 26 -7.184 1.812 12.343 1.00 0.00 C ATOM 0 H LEU A 26 -6.406 -2.522 14.208 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.400 -0.435 12.362 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.672 -0.486 13.608 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.742 -0.243 15.073 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.618 1.804 14.472 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.732 3.321 14.020 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.380 2.099 15.265 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.723 1.910 13.622 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.232 2.894 12.220 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.421 1.405 11.679 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.151 1.375 12.095 1.00 0.00 H new ATOM 421 N TYR A 27 -3.213 -0.089 13.554 1.00 0.00 N ATOM 422 CA TYR A 27 -1.954 0.232 14.249 1.00 0.00 C ATOM 423 C TYR A 27 -2.116 1.482 15.148 1.00 0.00 C ATOM 424 O TYR A 27 -2.043 2.618 14.675 1.00 0.00 O ATOM 425 CB TYR A 27 -0.847 0.378 13.190 1.00 0.00 C ATOM 426 CG TYR A 27 0.591 0.145 13.639 1.00 0.00 C ATOM 427 CD1 TYR A 27 1.000 -1.126 14.087 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.556 1.162 13.487 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.360 -1.387 14.351 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.917 0.909 13.734 1.00 0.00 C ATOM 431 CZ TYR A 27 3.326 -0.374 14.154 1.00 0.00 C ATOM 432 OH TYR A 27 4.646 -0.640 14.352 1.00 0.00 O ATOM 0 H TYR A 27 -3.197 0.124 12.557 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.672 -0.572 14.929 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.063 -0.318 12.379 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.911 1.383 12.773 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.267 -1.906 14.229 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.245 2.149 13.177 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.664 -2.361 14.704 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.647 1.694 13.603 1.00 0.00 H new ATOM 0 HH TYR A 27 5.100 0.171 14.663 1.00 0.00 H new ATOM 442 N ILE A 28 -2.384 1.286 16.447 1.00 0.00 N ATOM 443 CA ILE A 28 -2.608 2.383 17.420 1.00 0.00 C ATOM 444 C ILE A 28 -1.321 2.958 18.024 1.00 0.00 C ATOM 445 O ILE A 28 -1.328 4.100 18.489 1.00 0.00 O ATOM 446 CB ILE A 28 -3.571 1.971 18.560 1.00 0.00 C ATOM 447 CG1 ILE A 28 -3.131 0.693 19.310 1.00 0.00 C ATOM 448 CG2 ILE A 28 -5.002 1.841 18.014 1.00 0.00 C ATOM 449 CD1 ILE A 28 -3.743 0.573 20.712 1.00 0.00 C ATOM 0 H ILE A 28 -2.454 0.357 16.862 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.069 3.172 16.826 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.541 2.765 19.306 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.413 -0.181 18.722 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.044 0.685 19.393 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.674 1.551 18.821 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.322 2.798 17.601 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.025 1.082 17.232 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.394 -0.345 21.184 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.440 1.429 21.316 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.830 0.550 20.634 1.00 0.00 H new ATOM 461 N GLY A 29 -0.228 2.191 18.018 1.00 0.00 N ATOM 462 CA GLY A 29 1.093 2.619 18.478 1.00 0.00 C ATOM 463 C GLY A 29 2.181 1.867 17.732 1.00 0.00 C ATOM 464 O GLY A 29 1.886 0.935 16.984 1.00 0.00 O ATOM 0 H GLY A 29 -0.239 1.228 17.683 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.210 3.691 18.321 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.188 2.441 19.549 1.00 0.00 H new ATOM 468 N ASP A 30 3.439 2.247 17.946 1.00 0.00 N ATOM 469 CA ASP A 30 4.576 1.577 17.316 1.00 0.00 C ATOM 470 C ASP A 30 4.760 0.158 17.899 1.00 0.00 C ATOM 471 O ASP A 30 5.435 -0.044 18.911 1.00 0.00 O ATOM 472 CB ASP A 30 5.836 2.442 17.448 1.00 0.00 C ATOM 473 CG ASP A 30 7.034 1.821 16.710 1.00 0.00 C ATOM 474 OD1 ASP A 30 6.881 1.449 15.522 1.00 0.00 O ATOM 475 OD2 ASP A 30 8.129 1.725 17.312 1.00 0.00 O ATOM 0 H ASP A 30 3.698 3.022 18.556 1.00 0.00 H new ATOM 0 HA ASP A 30 4.382 1.454 16.251 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.638 3.436 17.048 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.083 2.566 18.502 1.00 0.00 H new ATOM 480 N GLY A 31 4.108 -0.813 17.255 1.00 0.00 N ATOM 481 CA GLY A 31 4.051 -2.230 17.625 1.00 0.00 C ATOM 482 C GLY A 31 2.746 -2.676 18.288 1.00 0.00 C ATOM 483 O GLY A 31 2.615 -3.857 18.598 1.00 0.00 O ATOM 0 H GLY A 31 3.572 -0.619 16.409 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.209 -2.830 16.729 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.877 -2.446 18.303 1.00 0.00 H new ATOM 487 N TYR A 32 1.774 -1.781 18.485 1.00 0.00 N ATOM 488 CA TYR A 32 0.510 -2.055 19.191 1.00 0.00 C ATOM 489 C TYR A 32 -0.719 -1.887 18.285 1.00 0.00 C ATOM 490 O TYR A 32 -0.785 -0.957 17.478 1.00 0.00 O ATOM 491 CB TYR A 32 0.415 -1.146 20.424 1.00 0.00 C ATOM 492 CG TYR A 32 1.439 -1.485 21.489 1.00 0.00 C ATOM 493 CD1 TYR A 32 1.175 -2.523 22.407 1.00 0.00 C ATOM 494 CD2 TYR A 32 2.660 -0.785 21.550 1.00 0.00 C ATOM 495 CE1 TYR A 32 2.125 -2.855 23.392 1.00 0.00 C ATOM 496 CE2 TYR A 32 3.617 -1.119 22.528 1.00 0.00 C ATOM 497 CZ TYR A 32 3.350 -2.150 23.456 1.00 0.00 C ATOM 498 OH TYR A 32 4.275 -2.467 24.405 1.00 0.00 O ATOM 0 H TYR A 32 1.842 -0.820 18.151 1.00 0.00 H new ATOM 0 HA TYR A 32 0.515 -3.099 19.503 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.549 -0.109 20.116 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.585 -1.225 20.851 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.242 -3.064 22.354 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.862 0.009 20.846 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.919 -3.646 24.097 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.556 -0.586 22.568 1.00 0.00 H new ATOM 0 HH TYR A 32 5.058 -1.886 24.306 1.00 0.00 H new ATOM 508 N VAL A 33 -1.705 -2.778 18.428 1.00 0.00 N ATOM 509 CA VAL A 33 -2.847 -2.899 17.511 1.00 0.00 C ATOM 510 C VAL A 33 -4.181 -3.152 18.206 1.00 0.00 C ATOM 511 O VAL A 33 -4.244 -3.769 19.266 1.00 0.00 O ATOM 512 CB VAL A 33 -2.650 -4.031 16.472 1.00 0.00 C ATOM 513 CG1 VAL A 33 -1.636 -3.635 15.396 1.00 0.00 C ATOM 514 CG2 VAL A 33 -2.232 -5.385 17.076 1.00 0.00 C ATOM 0 H VAL A 33 -1.734 -3.448 19.197 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.882 -1.925 17.022 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.638 -4.166 16.031 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.523 -4.453 14.684 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.988 -2.745 14.874 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.674 -3.424 15.863 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.117 -6.119 16.279 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.285 -5.271 17.604 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.998 -5.724 17.773 1.00 0.00 H new ATOM 524 N ILE A 34 -5.250 -2.697 17.554 1.00 0.00 N ATOM 525 CA ILE A 34 -6.648 -3.017 17.886 1.00 0.00 C ATOM 526 C ILE A 34 -7.164 -3.901 16.748 1.00 0.00 C ATOM 527 O ILE A 34 -6.993 -3.547 15.586 1.00 0.00 O ATOM 528 CB ILE A 34 -7.481 -1.726 18.036 1.00 0.00 C ATOM 529 CG1 ILE A 34 -6.973 -0.840 19.197 1.00 0.00 C ATOM 530 CG2 ILE A 34 -8.981 -2.037 18.200 1.00 0.00 C ATOM 531 CD1 ILE A 34 -7.169 -1.403 20.604 1.00 0.00 C ATOM 0 H ILE A 34 -5.170 -2.073 16.751 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.728 -3.538 18.840 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.353 -1.161 17.113 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.910 -0.653 19.047 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.478 0.124 19.139 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.537 -1.105 18.303 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.338 -2.578 17.324 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.131 -2.649 19.090 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.776 -0.698 21.336 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.232 -1.562 20.787 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.639 -2.352 20.693 1.00 0.00 H new ATOM 543 N HIS A 35 -7.764 -5.049 17.039 1.00 0.00 N ATOM 544 CA HIS A 35 -8.097 -6.060 16.028 1.00 0.00 C ATOM 545 C HIS A 35 -9.386 -6.834 16.361 1.00 0.00 C ATOM 546 O HIS A 35 -9.781 -6.916 17.523 1.00 0.00 O ATOM 547 CB HIS A 35 -6.892 -7.010 15.871 1.00 0.00 C ATOM 548 CG HIS A 35 -6.590 -7.825 17.110 1.00 0.00 C ATOM 549 ND1 HIS A 35 -6.913 -9.149 17.312 1.00 0.00 N ATOM 550 CD2 HIS A 35 -5.982 -7.380 18.256 1.00 0.00 C ATOM 551 CE1 HIS A 35 -6.511 -9.489 18.550 1.00 0.00 C ATOM 552 NE2 HIS A 35 -5.943 -8.439 19.169 1.00 0.00 N ATOM 0 H HIS A 35 -8.037 -5.311 17.986 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.298 -5.554 15.083 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.082 -7.688 15.039 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.011 -6.424 15.610 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.375 -9.763 16.641 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.599 -6.384 18.424 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.628 -10.470 18.986 1.00 0.00 H new ATOM 560 N LEU A 36 -10.037 -7.417 15.346 1.00 0.00 N ATOM 561 CA LEU A 36 -11.313 -8.126 15.495 1.00 0.00 C ATOM 562 C LEU A 36 -11.089 -9.642 15.607 1.00 0.00 C ATOM 563 O LEU A 36 -10.545 -10.276 14.699 1.00 0.00 O ATOM 564 CB LEU A 36 -12.215 -7.709 14.307 1.00 0.00 C ATOM 565 CG LEU A 36 -13.699 -8.144 14.293 1.00 0.00 C ATOM 566 CD1 LEU A 36 -13.899 -9.605 13.870 1.00 0.00 C ATOM 567 CD2 LEU A 36 -14.416 -7.873 15.623 1.00 0.00 C ATOM 0 H LEU A 36 -9.688 -7.409 14.388 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.817 -7.853 16.422 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.192 -6.621 14.245 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.754 -8.090 13.396 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.159 -7.515 13.531 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.962 -9.845 13.882 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.505 -9.750 12.864 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.372 -10.260 14.564 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.453 -8.200 15.550 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.918 -8.421 16.423 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.386 -6.806 15.841 1.00 0.00 H new ATOM 579 N ALA A 37 -11.537 -10.226 16.719 1.00 0.00 N ATOM 580 CA ALA A 37 -11.625 -11.671 16.928 1.00 0.00 C ATOM 581 C ALA A 37 -13.049 -12.131 16.528 1.00 0.00 C ATOM 582 O ALA A 37 -14.009 -11.597 17.091 1.00 0.00 O ATOM 583 CB ALA A 37 -11.310 -11.955 18.404 1.00 0.00 C ATOM 0 H ALA A 37 -11.859 -9.689 17.524 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.911 -12.223 16.317 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.369 -13.028 18.589 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.306 -11.601 18.636 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.032 -11.438 19.036 1.00 0.00 H new ATOM 589 N PRO A 38 -13.221 -13.046 15.551 1.00 0.00 N ATOM 590 CA PRO A 38 -14.524 -13.373 14.962 1.00 0.00 C ATOM 591 C PRO A 38 -15.411 -14.239 15.887 1.00 0.00 C ATOM 592 O PRO A 38 -14.925 -14.732 16.910 1.00 0.00 O ATOM 593 CB PRO A 38 -14.190 -14.082 13.640 1.00 0.00 C ATOM 594 CG PRO A 38 -12.852 -14.757 13.933 1.00 0.00 C ATOM 595 CD PRO A 38 -12.161 -13.736 14.828 1.00 0.00 C ATOM 0 HA PRO A 38 -15.122 -12.475 14.805 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.956 -14.808 13.368 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.112 -13.376 12.813 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.982 -15.716 14.435 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.285 -14.948 13.022 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.474 -14.225 15.518 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.573 -13.034 14.236 1.00 0.00 H new ATOM 603 N PRO A 39 -16.701 -14.446 15.532 1.00 0.00 N ATOM 604 CA PRO A 39 -17.615 -15.356 16.224 1.00 0.00 C ATOM 605 C PRO A 39 -17.117 -16.812 16.235 1.00 0.00 C ATOM 606 O PRO A 39 -16.259 -17.191 15.436 1.00 0.00 O ATOM 607 CB PRO A 39 -18.956 -15.257 15.479 1.00 0.00 C ATOM 608 CG PRO A 39 -18.879 -13.926 14.740 1.00 0.00 C ATOM 609 CD PRO A 39 -17.393 -13.835 14.404 1.00 0.00 C ATOM 0 HA PRO A 39 -17.699 -15.069 17.272 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -19.089 -16.089 14.787 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -19.798 -15.280 16.171 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -19.501 -13.920 13.845 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.208 -13.094 15.363 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.168 -14.359 13.475 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.084 -12.799 14.269 1.00 0.00 H new ATOM 842 N SER A 57 -20.258 -14.335 20.383 1.00 0.00 N ATOM 843 CA SER A 57 -20.038 -13.116 19.592 1.00 0.00 C ATOM 844 C SER A 57 -18.560 -12.830 19.255 1.00 0.00 C ATOM 845 O SER A 57 -17.635 -13.315 19.917 1.00 0.00 O ATOM 846 CB SER A 57 -20.599 -11.903 20.360 1.00 0.00 C ATOM 847 OG SER A 57 -21.935 -12.128 20.791 1.00 0.00 O ATOM 0 HA SER A 57 -20.552 -13.281 18.645 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.968 -11.695 21.224 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.566 -11.020 19.721 1.00 0.00 H new ATOM 0 HG SER A 57 -22.259 -11.340 21.276 1.00 0.00 H new ATOM 853 N ALA A 58 -18.343 -11.989 18.236 1.00 0.00 N ATOM 854 CA ALA A 58 -17.044 -11.405 17.907 1.00 0.00 C ATOM 855 C ALA A 58 -16.649 -10.383 18.987 1.00 0.00 C ATOM 856 O ALA A 58 -17.521 -9.848 19.675 1.00 0.00 O ATOM 857 CB ALA A 58 -17.148 -10.709 16.539 1.00 0.00 C ATOM 0 H ALA A 58 -19.086 -11.691 17.604 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.283 -12.185 17.866 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.185 -10.268 16.281 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.428 -11.439 15.780 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.904 -9.926 16.586 1.00 0.00 H new ATOM 863 N GLU A 59 -15.363 -10.051 19.098 1.00 0.00 N ATOM 864 CA GLU A 59 -14.850 -9.077 20.066 1.00 0.00 C ATOM 865 C GLU A 59 -13.717 -8.233 19.462 1.00 0.00 C ATOM 866 O GLU A 59 -12.818 -8.764 18.810 1.00 0.00 O ATOM 867 CB GLU A 59 -14.378 -9.805 21.340 1.00 0.00 C ATOM 868 CG GLU A 59 -13.956 -8.834 22.453 1.00 0.00 C ATOM 869 CD GLU A 59 -13.663 -9.556 23.780 1.00 0.00 C ATOM 870 OE1 GLU A 59 -12.887 -10.540 23.791 1.00 0.00 O ATOM 871 OE2 GLU A 59 -14.206 -9.128 24.826 1.00 0.00 O ATOM 0 H GLU A 59 -14.635 -10.457 18.509 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.657 -8.394 20.330 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.180 -10.445 21.706 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.539 -10.455 21.093 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.068 -8.286 22.137 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.745 -8.099 22.609 1.00 0.00 H new ATOM 878 N VAL A 60 -13.751 -6.922 19.708 1.00 0.00 N ATOM 879 CA VAL A 60 -12.655 -5.989 19.403 1.00 0.00 C ATOM 880 C VAL A 60 -11.648 -6.038 20.559 1.00 0.00 C ATOM 881 O VAL A 60 -12.005 -5.765 21.706 1.00 0.00 O ATOM 882 CB VAL A 60 -13.177 -4.548 19.209 1.00 0.00 C ATOM 883 CG1 VAL A 60 -12.026 -3.585 18.880 1.00 0.00 C ATOM 884 CG2 VAL A 60 -14.223 -4.466 18.082 1.00 0.00 C ATOM 0 H VAL A 60 -14.557 -6.465 20.134 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.178 -6.287 18.469 1.00 0.00 H new ATOM 0 HB VAL A 60 -13.645 -4.258 20.150 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.421 -2.578 18.748 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.304 -3.588 19.697 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.535 -3.905 17.961 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.565 -3.436 17.977 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.775 -4.797 17.145 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.071 -5.107 18.325 1.00 0.00 H new ATOM 894 N LYS A 61 -10.393 -6.383 20.266 1.00 0.00 N ATOM 895 CA LYS A 61 -9.334 -6.653 21.253 1.00 0.00 C ATOM 896 C LYS A 61 -8.078 -5.784 21.022 1.00 0.00 C ATOM 897 O LYS A 61 -7.839 -5.310 19.910 1.00 0.00 O ATOM 898 CB LYS A 61 -8.984 -8.157 21.196 1.00 0.00 C ATOM 899 CG LYS A 61 -10.180 -9.045 21.593 1.00 0.00 C ATOM 900 CD LYS A 61 -9.836 -10.539 21.645 1.00 0.00 C ATOM 901 CE LYS A 61 -8.942 -10.881 22.846 1.00 0.00 C ATOM 902 NZ LYS A 61 -8.708 -12.348 22.964 1.00 0.00 N ATOM 0 H LYS A 61 -10.070 -6.487 19.304 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.705 -6.390 22.244 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.660 -8.416 20.188 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.146 -8.359 21.862 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.549 -8.730 22.569 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.990 -8.891 20.881 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.756 -11.121 21.700 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.331 -10.827 20.723 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.986 -10.368 22.745 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.406 -10.513 23.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.100 -12.538 23.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.618 -12.836 23.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.242 -12.696 22.102 1.00 0.00 H new ATOM 916 N ARG A 62 -7.275 -5.577 22.077 1.00 0.00 N ATOM 917 CA ARG A 62 -5.989 -4.852 22.052 1.00 0.00 C ATOM 918 C ARG A 62 -4.817 -5.812 22.285 1.00 0.00 C ATOM 919 O ARG A 62 -4.892 -6.663 23.172 1.00 0.00 O ATOM 920 CB ARG A 62 -6.009 -3.740 23.117 1.00 0.00 C ATOM 921 CG ARG A 62 -4.747 -2.861 23.087 1.00 0.00 C ATOM 922 CD ARG A 62 -4.883 -1.660 24.031 1.00 0.00 C ATOM 923 NE ARG A 62 -3.650 -0.849 24.035 1.00 0.00 N ATOM 924 CZ ARG A 62 -3.483 0.333 24.621 1.00 0.00 C ATOM 925 NH1 ARG A 62 -4.452 0.926 25.287 1.00 0.00 N ATOM 926 NH2 ARG A 62 -2.319 0.945 24.546 1.00 0.00 N ATOM 0 H ARG A 62 -7.510 -5.922 23.008 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.853 -4.401 21.069 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.887 -3.112 22.963 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.108 -4.191 24.104 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.880 -3.456 23.374 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.570 -2.509 22.071 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.727 -1.044 23.722 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.096 -2.009 25.041 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.846 -1.233 23.539 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.365 0.478 25.365 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.289 1.833 25.724 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.547 0.512 24.039 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.190 1.852 24.995 1.00 0.00 H new ATOM 940 N GLU A 63 -3.734 -5.653 21.517 1.00 0.00 N ATOM 941 CA GLU A 63 -2.606 -6.595 21.480 1.00 0.00 C ATOM 942 C GLU A 63 -1.391 -5.990 20.750 1.00 0.00 C ATOM 943 O GLU A 63 -1.483 -4.922 20.143 1.00 0.00 O ATOM 944 CB GLU A 63 -3.102 -7.905 20.826 1.00 0.00 C ATOM 945 CG GLU A 63 -2.173 -9.117 20.869 1.00 0.00 C ATOM 946 CD GLU A 63 -1.624 -9.381 22.279 1.00 0.00 C ATOM 947 OE1 GLU A 63 -2.309 -10.034 23.102 1.00 0.00 O ATOM 948 OE2 GLU A 63 -0.506 -8.893 22.569 1.00 0.00 O ATOM 0 H GLU A 63 -3.613 -4.855 20.894 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.258 -6.811 22.490 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.040 -8.185 21.305 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.329 -7.693 19.781 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.712 -9.998 20.521 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.342 -8.960 20.182 1.00 0.00 H new ATOM 955 N ARG A 64 -0.244 -6.673 20.801 1.00 0.00 N ATOM 956 CA ARG A 64 0.977 -6.356 20.047 1.00 0.00 C ATOM 957 C ARG A 64 0.907 -6.968 18.641 1.00 0.00 C ATOM 958 O ARG A 64 0.497 -8.121 18.489 1.00 0.00 O ATOM 959 CB ARG A 64 2.201 -6.923 20.790 1.00 0.00 C ATOM 960 CG ARG A 64 2.407 -6.312 22.192 1.00 0.00 C ATOM 961 CD ARG A 64 3.046 -7.316 23.163 1.00 0.00 C ATOM 962 NE ARG A 64 2.116 -8.430 23.427 1.00 0.00 N ATOM 963 CZ ARG A 64 2.374 -9.622 23.936 1.00 0.00 C ATOM 964 NH1 ARG A 64 3.559 -9.961 24.400 1.00 0.00 N ATOM 965 NH2 ARG A 64 1.382 -10.480 23.964 1.00 0.00 N ATOM 0 H ARG A 64 -0.134 -7.497 21.393 1.00 0.00 H new ATOM 0 HA ARG A 64 1.067 -5.273 19.959 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.090 -8.003 20.886 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.094 -6.746 20.191 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.040 -5.428 22.114 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.447 -5.982 22.590 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.975 -7.700 22.742 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.302 -6.817 24.098 1.00 0.00 H new ATOM 0 HE ARG A 64 1.141 -8.257 23.184 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.327 -9.290 24.376 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.709 -10.894 24.783 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.466 -10.213 23.603 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.527 -11.414 24.346 1.00 0.00 H new ATOM 979 N LEU A 65 1.366 -6.253 17.608 1.00 0.00 N ATOM 980 CA LEU A 65 1.312 -6.724 16.211 1.00 0.00 C ATOM 981 C LEU A 65 2.017 -8.075 16.050 1.00 0.00 C ATOM 982 O LEU A 65 1.413 -9.008 15.536 1.00 0.00 O ATOM 983 CB LEU A 65 1.895 -5.642 15.275 1.00 0.00 C ATOM 984 CG LEU A 65 1.920 -6.043 13.779 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.522 -6.340 13.214 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.554 -4.917 12.960 1.00 0.00 C ATOM 0 H LEU A 65 1.787 -5.330 17.712 1.00 0.00 H new ATOM 0 HA LEU A 65 0.272 -6.888 15.930 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.310 -4.729 15.385 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.911 -5.410 15.595 1.00 0.00 H new ATOM 0 HG LEU A 65 2.505 -6.960 13.707 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.605 -6.615 12.163 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.072 -7.163 13.770 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.105 -5.453 13.308 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.572 -5.199 11.907 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.970 -4.005 13.082 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.573 -4.744 13.307 1.00 0.00 H new ATOM 998 N GLU A 66 3.235 -8.217 16.577 1.00 0.00 N ATOM 999 CA GLU A 66 3.998 -9.474 16.519 1.00 0.00 C ATOM 1000 C GLU A 66 3.260 -10.676 17.145 1.00 0.00 C ATOM 1001 O GLU A 66 3.438 -11.801 16.683 1.00 0.00 O ATOM 1002 CB GLU A 66 5.394 -9.282 17.139 1.00 0.00 C ATOM 1003 CG GLU A 66 5.393 -8.992 18.647 1.00 0.00 C ATOM 1004 CD GLU A 66 6.825 -8.773 19.159 1.00 0.00 C ATOM 1005 OE1 GLU A 66 7.490 -9.759 19.560 1.00 0.00 O ATOM 1006 OE2 GLU A 66 7.298 -7.612 19.166 1.00 0.00 O ATOM 0 H GLU A 66 3.725 -7.463 17.059 1.00 0.00 H new ATOM 0 HA GLU A 66 4.110 -9.723 15.464 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.984 -10.180 16.956 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.895 -8.461 16.625 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.789 -8.108 18.852 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.933 -9.823 19.182 1.00 0.00 H new ATOM 1013 N ASP A 67 2.387 -10.454 18.138 1.00 0.00 N ATOM 1014 CA ASP A 67 1.577 -11.509 18.764 1.00 0.00 C ATOM 1015 C ASP A 67 0.313 -11.806 17.937 1.00 0.00 C ATOM 1016 O ASP A 67 -0.006 -12.974 17.696 1.00 0.00 O ATOM 1017 CB ASP A 67 1.226 -11.094 20.199 1.00 0.00 C ATOM 1018 CG ASP A 67 0.517 -12.231 20.953 1.00 0.00 C ATOM 1019 OD1 ASP A 67 1.218 -13.056 21.586 1.00 0.00 O ATOM 1020 OD2 ASP A 67 -0.733 -12.298 20.907 1.00 0.00 O ATOM 0 H ASP A 67 2.222 -9.528 18.533 1.00 0.00 H new ATOM 0 HA ASP A 67 2.156 -12.432 18.796 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.135 -10.814 20.731 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.584 -10.213 20.178 1.00 0.00 H new ATOM 1025 N VAL A 68 -0.348 -10.761 17.416 1.00 0.00 N ATOM 1026 CA VAL A 68 -1.444 -10.910 16.436 1.00 0.00 C ATOM 1027 C VAL A 68 -0.975 -11.649 15.180 1.00 0.00 C ATOM 1028 O VAL A 68 -1.709 -12.478 14.649 1.00 0.00 O ATOM 1029 CB VAL A 68 -2.111 -9.568 16.060 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -3.245 -9.741 15.032 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -2.699 -8.905 17.311 1.00 0.00 C ATOM 0 H VAL A 68 -0.142 -9.792 17.658 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.206 -11.512 16.931 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.332 -8.947 15.616 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.680 -8.768 14.803 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.845 -10.184 14.120 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.014 -10.394 15.445 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.167 -7.960 17.036 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.445 -9.564 17.755 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.903 -8.720 18.033 1.00 0.00 H new ATOM 1041 N VAL A 69 0.252 -11.393 14.734 1.00 0.00 N ATOM 1042 CA VAL A 69 0.817 -11.963 13.508 1.00 0.00 C ATOM 1043 C VAL A 69 1.365 -13.377 13.734 1.00 0.00 C ATOM 1044 O VAL A 69 1.034 -14.273 12.964 1.00 0.00 O ATOM 1045 CB VAL A 69 1.884 -11.000 12.942 1.00 0.00 C ATOM 1046 CG1 VAL A 69 2.688 -11.594 11.781 1.00 0.00 C ATOM 1047 CG2 VAL A 69 1.182 -9.726 12.449 1.00 0.00 C ATOM 0 H VAL A 69 0.897 -10.771 15.222 1.00 0.00 H new ATOM 0 HA VAL A 69 0.024 -12.071 12.768 1.00 0.00 H new ATOM 0 HB VAL A 69 2.589 -10.795 13.748 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.418 -10.864 11.433 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.205 -12.492 12.119 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.013 -11.849 10.964 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.923 -9.035 12.046 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.465 -9.984 11.670 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.660 -9.253 13.281 1.00 0.00 H new ATOM 1057 N GLY A 70 2.198 -13.612 14.758 1.00 0.00 N ATOM 1058 CA GLY A 70 2.702 -14.956 15.098 1.00 0.00 C ATOM 1059 C GLY A 70 3.557 -15.619 14.006 1.00 0.00 C ATOM 1060 O GLY A 70 3.607 -16.846 13.935 1.00 0.00 O ATOM 0 H GLY A 70 2.543 -12.877 15.376 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.294 -14.887 16.011 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.852 -15.603 15.317 1.00 0.00 H new ATOM 1064 N GLY A 71 4.175 -14.820 13.124 1.00 0.00 N ATOM 1065 CA GLY A 71 4.939 -15.277 11.948 1.00 0.00 C ATOM 1066 C GLY A 71 4.146 -15.339 10.633 1.00 0.00 C ATOM 1067 O GLY A 71 4.712 -15.731 9.611 1.00 0.00 O ATOM 0 H GLY A 71 4.158 -13.804 13.210 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.791 -14.612 11.808 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.340 -16.269 12.159 1.00 0.00 H new ATOM 1071 N CYS A 72 2.860 -14.961 10.635 1.00 0.00 N ATOM 1072 CA CYS A 72 1.999 -14.925 9.439 1.00 0.00 C ATOM 1073 C CYS A 72 2.353 -13.775 8.465 1.00 0.00 C ATOM 1074 O CYS A 72 3.121 -12.865 8.786 1.00 0.00 O ATOM 1075 CB CYS A 72 0.524 -14.842 9.880 1.00 0.00 C ATOM 1076 SG CYS A 72 0.065 -16.319 10.839 1.00 0.00 S ATOM 0 H CYS A 72 2.377 -14.665 11.484 1.00 0.00 H new ATOM 0 HA CYS A 72 2.171 -15.845 8.881 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.367 -13.947 10.482 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.120 -14.754 9.005 1.00 0.00 H new ATOM 0 HG CYS A 72 0.351 -16.129 12.093 1.00 0.00 H new ATOM 1082 N CYS A 73 1.747 -13.796 7.273 1.00 0.00 N ATOM 1083 CA CYS A 73 1.835 -12.715 6.282 1.00 0.00 C ATOM 1084 C CYS A 73 0.891 -11.543 6.631 1.00 0.00 C ATOM 1085 O CYS A 73 -0.199 -11.752 7.169 1.00 0.00 O ATOM 1086 CB CYS A 73 1.518 -13.286 4.888 1.00 0.00 C ATOM 1087 SG CYS A 73 2.673 -14.625 4.458 1.00 0.00 S ATOM 0 H CYS A 73 1.171 -14.579 6.963 1.00 0.00 H new ATOM 0 HA CYS A 73 2.848 -12.313 6.288 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.495 -13.662 4.868 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.580 -12.493 4.143 1.00 0.00 H new ATOM 0 HG CYS A 73 2.380 -15.089 3.279 1.00 0.00 H new ATOM 1093 N TYR A 74 1.284 -10.317 6.258 1.00 0.00 N ATOM 1094 CA TYR A 74 0.461 -9.108 6.415 1.00 0.00 C ATOM 1095 C TYR A 74 0.867 -7.938 5.498 1.00 0.00 C ATOM 1096 O TYR A 74 2.036 -7.805 5.130 1.00 0.00 O ATOM 1097 CB TYR A 74 0.418 -8.656 7.887 1.00 0.00 C ATOM 1098 CG TYR A 74 1.667 -7.996 8.449 1.00 0.00 C ATOM 1099 CD1 TYR A 74 1.884 -6.616 8.250 1.00 0.00 C ATOM 1100 CD2 TYR A 74 2.578 -8.738 9.225 1.00 0.00 C ATOM 1101 CE1 TYR A 74 2.989 -5.975 8.837 1.00 0.00 C ATOM 1102 CE2 TYR A 74 3.687 -8.103 9.816 1.00 0.00 C ATOM 1103 CZ TYR A 74 3.890 -6.717 9.630 1.00 0.00 C ATOM 1104 OH TYR A 74 4.949 -6.092 10.211 1.00 0.00 O ATOM 0 H TYR A 74 2.193 -10.134 5.834 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.540 -9.398 6.096 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.413 -7.960 8.002 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.191 -9.527 8.501 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.196 -6.048 7.642 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.426 -9.798 9.367 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.148 -4.918 8.682 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.383 -8.675 10.412 1.00 0.00 H new ATOM 0 HH TYR A 74 5.472 -6.743 10.724 1.00 0.00 H new ATOM 1114 N ARG A 75 -0.094 -7.051 5.189 1.00 0.00 N ATOM 1115 CA ARG A 75 0.081 -5.798 4.418 1.00 0.00 C ATOM 1116 C ARG A 75 -0.919 -4.724 4.891 1.00 0.00 C ATOM 1117 O ARG A 75 -1.954 -5.075 5.446 1.00 0.00 O ATOM 1118 CB ARG A 75 -0.131 -6.066 2.908 1.00 0.00 C ATOM 1119 CG ARG A 75 0.974 -6.878 2.206 1.00 0.00 C ATOM 1120 CD ARG A 75 2.326 -6.150 2.176 1.00 0.00 C ATOM 1121 NE ARG A 75 3.354 -6.949 1.482 1.00 0.00 N ATOM 1122 CZ ARG A 75 4.495 -6.496 0.969 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.824 -5.222 0.991 1.00 0.00 N ATOM 1124 NH2 ARG A 75 5.353 -7.328 0.422 1.00 0.00 N ATOM 0 H ARG A 75 -1.061 -7.190 5.482 1.00 0.00 H new ATOM 0 HA ARG A 75 1.096 -5.436 4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.077 -6.592 2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.229 -5.107 2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.094 -7.834 2.715 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.663 -7.097 1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.212 -5.188 1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.652 -5.942 3.195 1.00 0.00 H new ATOM 0 HE ARG A 75 3.172 -7.948 1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.194 -4.540 1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.709 -4.917 0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.146 -8.326 0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.226 -6.975 0.030 1.00 0.00 H new ATOM 1138 N VAL A 76 -0.644 -3.434 4.666 1.00 0.00 N ATOM 1139 CA VAL A 76 -1.620 -2.341 4.916 1.00 0.00 C ATOM 1140 C VAL A 76 -2.482 -2.110 3.669 1.00 0.00 C ATOM 1141 O VAL A 76 -1.981 -2.132 2.546 1.00 0.00 O ATOM 1142 CB VAL A 76 -0.961 -1.022 5.393 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -1.963 0.144 5.559 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -0.281 -1.240 6.751 1.00 0.00 C ATOM 0 H VAL A 76 0.254 -3.109 4.307 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.255 -2.667 5.740 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.246 -0.751 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.432 1.035 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.445 0.348 4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.719 -0.128 6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.180 -0.309 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.024 -1.556 7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.484 -2.010 6.655 1.00 0.00 H new ATOM 1154 N ASN A 77 -3.779 -1.877 3.881 1.00 0.00 N ATOM 1155 CA ASN A 77 -4.798 -1.741 2.839 1.00 0.00 C ATOM 1156 C ASN A 77 -6.005 -0.922 3.342 1.00 0.00 C ATOM 1157 O ASN A 77 -7.125 -1.419 3.457 1.00 0.00 O ATOM 1158 CB ASN A 77 -5.180 -3.148 2.347 1.00 0.00 C ATOM 1159 CG ASN A 77 -6.140 -3.157 1.159 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -6.410 -2.145 0.517 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -6.669 -4.319 0.832 1.00 0.00 N ATOM 0 H ASN A 77 -4.163 -1.774 4.820 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.404 -1.179 1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.272 -3.683 2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.634 -3.698 3.171 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.308 -4.383 0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.439 -5.154 1.371 1.00 0.00 H new ATOM 1168 N ASN A 78 -5.791 0.362 3.657 1.00 0.00 N ATOM 1169 CA ASN A 78 -6.856 1.294 4.054 1.00 0.00 C ATOM 1170 C ASN A 78 -7.603 1.810 2.806 1.00 0.00 C ATOM 1171 O ASN A 78 -7.517 2.976 2.426 1.00 0.00 O ATOM 1172 CB ASN A 78 -6.289 2.402 4.970 1.00 0.00 C ATOM 1173 CG ASN A 78 -7.356 3.055 5.846 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -8.550 2.793 5.742 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -6.943 3.911 6.757 1.00 0.00 N ATOM 0 H ASN A 78 -4.864 0.788 3.643 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.606 0.779 4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.513 1.977 5.607 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -5.814 3.166 4.355 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.616 4.358 7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.950 4.127 6.841 1.00 0.00 H new ATOM 1182 N SER A 79 -8.291 0.894 2.126 1.00 0.00 N ATOM 1183 CA SER A 79 -8.917 1.069 0.802 1.00 0.00 C ATOM 1184 C SER A 79 -9.765 2.343 0.662 1.00 0.00 C ATOM 1185 O SER A 79 -9.487 3.182 -0.196 1.00 0.00 O ATOM 1186 CB SER A 79 -9.750 -0.184 0.475 1.00 0.00 C ATOM 1187 OG SER A 79 -10.675 -0.482 1.517 1.00 0.00 O ATOM 0 H SER A 79 -8.439 -0.044 2.498 1.00 0.00 H new ATOM 0 HA SER A 79 -8.108 1.194 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.290 -0.030 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.086 -1.034 0.323 1.00 0.00 H new ATOM 0 HG SER A 79 -11.190 -1.281 1.279 1.00 0.00 H new ATOM 1193 N LEU A 80 -10.764 2.523 1.531 1.00 0.00 N ATOM 1194 CA LEU A 80 -11.660 3.689 1.489 1.00 0.00 C ATOM 1195 C LEU A 80 -10.937 4.993 1.849 1.00 0.00 C ATOM 1196 O LEU A 80 -11.251 6.046 1.297 1.00 0.00 O ATOM 1197 CB LEU A 80 -12.877 3.467 2.404 1.00 0.00 C ATOM 1198 CG LEU A 80 -13.766 2.247 2.077 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -15.102 2.399 2.819 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -14.040 2.067 0.578 1.00 0.00 C ATOM 0 H LEU A 80 -10.977 1.868 2.283 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.007 3.793 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.520 3.365 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.498 4.362 2.370 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.222 1.360 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.741 1.544 2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -14.919 2.446 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -15.596 3.315 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.670 1.191 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.548 2.951 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -13.096 1.931 0.049 1.00 0.00 H new ATOM 1212 N ASP A 81 -9.931 4.932 2.727 1.00 0.00 N ATOM 1213 CA ASP A 81 -9.106 6.096 3.044 1.00 0.00 C ATOM 1214 C ASP A 81 -8.300 6.568 1.824 1.00 0.00 C ATOM 1215 O ASP A 81 -8.287 7.756 1.500 1.00 0.00 O ATOM 1216 CB ASP A 81 -8.194 5.789 4.229 1.00 0.00 C ATOM 1217 CG ASP A 81 -7.437 7.036 4.692 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -8.044 7.821 5.453 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -6.257 7.212 4.303 1.00 0.00 O ATOM 0 H ASP A 81 -9.670 4.085 3.231 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.768 6.916 3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.788 5.395 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.482 5.012 3.950 1.00 0.00 H new ATOM 1224 N HIS A 82 -7.700 5.621 1.099 1.00 0.00 N ATOM 1225 CA HIS A 82 -7.023 5.881 -0.174 1.00 0.00 C ATOM 1226 C HIS A 82 -7.984 6.439 -1.249 1.00 0.00 C ATOM 1227 O HIS A 82 -7.573 7.217 -2.117 1.00 0.00 O ATOM 1228 CB HIS A 82 -6.391 4.564 -0.652 1.00 0.00 C ATOM 1229 CG HIS A 82 -5.423 4.751 -1.795 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -5.667 4.503 -3.129 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -4.129 5.191 -1.699 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -4.551 4.800 -3.818 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -3.576 5.224 -2.988 1.00 0.00 N ATOM 0 H HIS A 82 -7.670 4.642 1.382 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.261 6.644 -0.018 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.871 4.094 0.183 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.181 3.880 -0.962 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.621 5.466 -0.786 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.449 4.711 -4.890 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.631 5.510 -3.245 1.00 0.00 H new ATOM 1241 N GLU A 83 -9.259 6.036 -1.201 1.00 0.00 N ATOM 1242 CA GLU A 83 -10.272 6.379 -2.197 1.00 0.00 C ATOM 1243 C GLU A 83 -10.751 7.841 -2.110 1.00 0.00 C ATOM 1244 O GLU A 83 -10.921 8.491 -3.146 1.00 0.00 O ATOM 1245 CB GLU A 83 -11.454 5.398 -2.059 1.00 0.00 C ATOM 1246 CG GLU A 83 -12.359 5.350 -3.293 1.00 0.00 C ATOM 1247 CD GLU A 83 -11.648 4.776 -4.527 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -11.433 3.543 -4.587 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -11.328 5.547 -5.464 1.00 0.00 O ATOM 0 H GLU A 83 -9.620 5.449 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.815 6.286 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.065 4.398 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.051 5.681 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.238 4.745 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.713 6.356 -3.518 1.00 0.00 H new ATOM 1256 N TYR A 84 -10.950 8.372 -0.896 1.00 0.00 N ATOM 1257 CA TYR A 84 -11.622 9.672 -0.696 1.00 0.00 C ATOM 1258 C TYR A 84 -10.762 10.835 -0.145 1.00 0.00 C ATOM 1259 O TYR A 84 -11.008 11.988 -0.506 1.00 0.00 O ATOM 1260 CB TYR A 84 -12.817 9.483 0.261 1.00 0.00 C ATOM 1261 CG TYR A 84 -13.708 8.268 0.075 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -14.201 7.898 -1.191 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -14.075 7.528 1.215 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -15.040 6.775 -1.319 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -14.914 6.409 1.096 1.00 0.00 C ATOM 1266 CZ TYR A 84 -15.396 6.023 -0.173 1.00 0.00 C ATOM 1267 OH TYR A 84 -16.204 4.933 -0.287 1.00 0.00 O ATOM 0 H TYR A 84 -10.655 7.921 -0.030 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.905 9.973 -1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -12.426 9.455 1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -13.446 10.370 0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.935 8.476 -2.064 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.709 7.823 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.412 6.487 -2.291 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.190 5.844 1.974 1.00 0.00 H new ATOM 0 HH TYR A 84 -16.345 4.536 0.598 1.00 0.00 H new ATOM 1277 N GLN A 85 -9.852 10.589 0.809 1.00 0.00 N ATOM 1278 CA GLN A 85 -9.749 11.469 1.990 1.00 0.00 C ATOM 1279 C GLN A 85 -8.339 11.631 2.617 1.00 0.00 C ATOM 1280 O GLN A 85 -7.497 10.741 2.463 1.00 0.00 O ATOM 1281 CB GLN A 85 -10.709 10.902 3.055 1.00 0.00 C ATOM 1282 CG GLN A 85 -10.427 9.425 3.410 1.00 0.00 C ATOM 1283 CD GLN A 85 -11.348 8.831 4.470 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -12.542 9.100 4.534 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -10.831 8.038 5.380 1.00 0.00 N ATOM 0 H GLN A 85 -9.192 9.811 0.792 1.00 0.00 H new ATOM 0 HA GLN A 85 -10.001 12.472 1.646 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.635 11.506 3.959 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -11.734 10.992 2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.509 8.827 2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.397 9.340 3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.840 7.801 5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.421 7.659 6.121 1.00 0.00 H new ATOM 1294 N PRO A 86 -8.096 12.728 3.379 1.00 0.00 N ATOM 1295 CA PRO A 86 -6.900 12.907 4.208 1.00 0.00 C ATOM 1296 C PRO A 86 -7.046 12.373 5.648 1.00 0.00 C ATOM 1297 O PRO A 86 -6.020 12.120 6.272 1.00 0.00 O ATOM 1298 CB PRO A 86 -6.675 14.420 4.259 1.00 0.00 C ATOM 1299 CG PRO A 86 -8.096 14.982 4.219 1.00 0.00 C ATOM 1300 CD PRO A 86 -8.848 13.983 3.333 1.00 0.00 C ATOM 0 HA PRO A 86 -6.074 12.344 3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.148 14.719 5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.080 14.768 3.415 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.532 15.043 5.216 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.119 15.988 3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.866 13.837 3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.922 14.352 2.310 1.00 0.00 H new ATOM 1308 N ARG A 87 -8.290 12.238 6.155 1.00 0.00 N ATOM 1309 CA ARG A 87 -8.763 11.764 7.470 1.00 0.00 C ATOM 1310 C ARG A 87 -7.772 11.790 8.674 1.00 0.00 C ATOM 1311 O ARG A 87 -6.792 11.038 8.674 1.00 0.00 O ATOM 1312 CB ARG A 87 -9.377 10.370 7.252 1.00 0.00 C ATOM 1313 CG ARG A 87 -10.569 10.053 8.160 1.00 0.00 C ATOM 1314 CD ARG A 87 -11.812 10.942 8.016 1.00 0.00 C ATOM 1315 NE ARG A 87 -12.318 11.033 6.632 1.00 0.00 N ATOM 1316 CZ ARG A 87 -12.730 12.115 5.970 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -12.590 13.341 6.430 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -13.296 11.960 4.794 1.00 0.00 N ATOM 0 H ARG A 87 -9.089 12.493 5.574 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.488 12.504 7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.695 10.285 6.213 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.605 9.618 7.411 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.868 9.021 7.978 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.231 10.109 9.195 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.603 10.553 8.658 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.575 11.944 8.374 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.358 10.155 6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.148 13.499 7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.924 14.133 5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.413 11.025 4.404 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.618 12.775 4.272 1.00 0.00 H new ATOM 1332 N PRO A 88 -8.041 12.582 9.744 1.00 0.00 N ATOM 1333 CA PRO A 88 -7.100 12.809 10.844 1.00 0.00 C ATOM 1334 C PRO A 88 -6.837 11.525 11.639 1.00 0.00 C ATOM 1335 O PRO A 88 -7.730 10.969 12.276 1.00 0.00 O ATOM 1336 CB PRO A 88 -7.713 13.925 11.703 1.00 0.00 C ATOM 1337 CG PRO A 88 -9.209 13.789 11.438 1.00 0.00 C ATOM 1338 CD PRO A 88 -9.247 13.374 9.971 1.00 0.00 C ATOM 0 HA PRO A 88 -6.119 13.109 10.475 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.478 13.795 12.759 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.340 14.907 11.412 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.669 13.041 12.084 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.738 14.726 11.609 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.142 12.792 9.754 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.268 14.247 9.319 1.00 0.00 H new ATOM 1346 N VAL A 89 -5.583 11.068 11.609 1.00 0.00 N ATOM 1347 CA VAL A 89 -5.161 9.750 12.120 1.00 0.00 C ATOM 1348 C VAL A 89 -5.322 9.619 13.639 1.00 0.00 C ATOM 1349 O VAL A 89 -5.676 8.545 14.118 1.00 0.00 O ATOM 1350 CB VAL A 89 -3.721 9.457 11.621 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -2.861 8.589 12.555 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -3.807 8.855 10.204 1.00 0.00 C ATOM 0 H VAL A 89 -4.812 11.611 11.222 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.825 8.984 11.720 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.193 10.410 11.609 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.875 8.445 12.113 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.757 9.086 13.520 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.341 7.620 12.695 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.803 8.643 9.837 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.385 7.931 10.236 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.295 9.565 9.536 1.00 0.00 H new ATOM 1362 N GLU A 90 -5.158 10.710 14.397 1.00 0.00 N ATOM 1363 CA GLU A 90 -5.337 10.703 15.860 1.00 0.00 C ATOM 1364 C GLU A 90 -6.783 10.367 16.251 1.00 0.00 C ATOM 1365 O GLU A 90 -7.021 9.655 17.226 1.00 0.00 O ATOM 1366 CB GLU A 90 -4.953 12.065 16.466 1.00 0.00 C ATOM 1367 CG GLU A 90 -3.535 12.512 16.102 1.00 0.00 C ATOM 1368 CD GLU A 90 -3.128 13.753 16.904 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -3.430 14.889 16.465 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -2.494 13.607 17.976 1.00 0.00 O ATOM 0 H GLU A 90 -4.898 11.621 14.018 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.679 9.930 16.257 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.663 12.819 16.126 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.042 12.010 17.551 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.833 11.702 16.298 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.481 12.730 15.035 1.00 0.00 H new ATOM 1377 N VAL A 91 -7.757 10.823 15.460 1.00 0.00 N ATOM 1378 CA VAL A 91 -9.193 10.604 15.719 1.00 0.00 C ATOM 1379 C VAL A 91 -9.553 9.134 15.474 1.00 0.00 C ATOM 1380 O VAL A 91 -10.300 8.552 16.251 1.00 0.00 O ATOM 1381 CB VAL A 91 -10.073 11.559 14.874 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -11.572 11.379 15.159 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -9.689 13.029 15.123 1.00 0.00 C ATOM 0 H VAL A 91 -7.576 11.360 14.612 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.395 10.834 16.765 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.888 11.301 13.831 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.145 12.071 14.542 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.866 10.356 14.926 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.769 11.583 16.211 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.322 13.678 14.518 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.828 13.268 16.177 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.645 13.184 14.850 1.00 0.00 H new ATOM 1393 N ILE A 92 -8.971 8.497 14.446 1.00 0.00 N ATOM 1394 CA ILE A 92 -9.187 7.064 14.158 1.00 0.00 C ATOM 1395 C ILE A 92 -8.452 6.154 15.151 1.00 0.00 C ATOM 1396 O ILE A 92 -9.008 5.142 15.574 1.00 0.00 O ATOM 1397 CB ILE A 92 -8.881 6.808 12.663 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -10.064 7.393 11.859 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -8.704 5.312 12.355 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -9.833 7.523 10.354 1.00 0.00 C ATOM 0 H ILE A 92 -8.339 8.956 13.791 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.232 6.796 14.316 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.939 7.284 12.390 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.939 6.763 12.022 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.301 8.379 12.259 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.491 5.182 11.294 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.876 4.915 12.943 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.619 4.777 12.610 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.722 7.943 9.884 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.982 8.179 10.172 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.629 6.539 9.931 1.00 0.00 H new ATOM 1412 N ILE A 93 -7.261 6.535 15.621 1.00 0.00 N ATOM 1413 CA ILE A 93 -6.593 5.838 16.742 1.00 0.00 C ATOM 1414 C ILE A 93 -7.418 5.985 18.033 1.00 0.00 C ATOM 1415 O ILE A 93 -7.536 5.037 18.803 1.00 0.00 O ATOM 1416 CB ILE A 93 -5.140 6.359 16.878 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -4.313 5.842 15.674 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -4.492 5.946 18.213 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -2.910 6.445 15.558 1.00 0.00 C ATOM 0 H ILE A 93 -6.732 7.323 15.247 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.534 4.768 16.542 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.159 7.449 16.876 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.223 4.758 15.750 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.862 6.053 14.756 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.475 6.335 18.260 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.074 6.351 19.041 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.468 4.859 18.285 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.405 6.026 14.688 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.987 7.527 15.447 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.339 6.212 16.457 1.00 0.00 H new ATOM 1431 N SER A 94 -8.040 7.142 18.251 1.00 0.00 N ATOM 1432 CA SER A 94 -8.941 7.374 19.387 1.00 0.00 C ATOM 1433 C SER A 94 -10.217 6.518 19.286 1.00 0.00 C ATOM 1434 O SER A 94 -10.604 5.884 20.266 1.00 0.00 O ATOM 1435 CB SER A 94 -9.298 8.863 19.518 1.00 0.00 C ATOM 1436 OG SER A 94 -8.138 9.674 19.657 1.00 0.00 O ATOM 0 H SER A 94 -7.935 7.953 17.642 1.00 0.00 H new ATOM 0 HA SER A 94 -8.407 7.070 20.287 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.860 9.181 18.640 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.947 9.006 20.382 1.00 0.00 H new ATOM 0 HG SER A 94 -7.582 9.590 18.854 1.00 0.00 H new ATOM 1442 N SER A 95 -10.831 6.423 18.099 1.00 0.00 N ATOM 1443 CA SER A 95 -11.940 5.503 17.816 1.00 0.00 C ATOM 1444 C SER A 95 -11.598 4.054 18.179 1.00 0.00 C ATOM 1445 O SER A 95 -12.412 3.369 18.790 1.00 0.00 O ATOM 1446 CB SER A 95 -12.296 5.520 16.323 1.00 0.00 C ATOM 1447 OG SER A 95 -12.880 6.729 15.872 1.00 0.00 O ATOM 0 H SER A 95 -10.566 6.993 17.295 1.00 0.00 H new ATOM 0 HA SER A 95 -12.776 5.848 18.424 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.392 5.330 15.745 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.984 4.700 16.117 1.00 0.00 H new ATOM 0 HG SER A 95 -12.212 7.445 15.900 1.00 0.00 H new ATOM 1453 N ALA A 96 -10.393 3.579 17.846 1.00 0.00 N ATOM 1454 CA ALA A 96 -9.953 2.218 18.147 1.00 0.00 C ATOM 1455 C ALA A 96 -9.799 1.984 19.661 1.00 0.00 C ATOM 1456 O ALA A 96 -10.336 1.018 20.209 1.00 0.00 O ATOM 1457 CB ALA A 96 -8.671 1.980 17.335 1.00 0.00 C ATOM 0 H ALA A 96 -9.692 4.135 17.356 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.701 1.481 17.853 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.301 0.973 17.526 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.887 2.092 16.273 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.914 2.707 17.629 1.00 0.00 H new ATOM 1463 N LYS A 97 -9.171 2.928 20.367 1.00 0.00 N ATOM 1464 CA LYS A 97 -9.086 2.923 21.835 1.00 0.00 C ATOM 1465 C LYS A 97 -10.450 3.128 22.539 1.00 0.00 C ATOM 1466 O LYS A 97 -10.559 2.834 23.729 1.00 0.00 O ATOM 1467 CB LYS A 97 -8.033 3.949 22.293 1.00 0.00 C ATOM 1468 CG LYS A 97 -6.611 3.558 21.841 1.00 0.00 C ATOM 1469 CD LYS A 97 -5.520 4.459 22.437 1.00 0.00 C ATOM 1470 CE LYS A 97 -5.714 5.938 22.065 1.00 0.00 C ATOM 1471 NZ LYS A 97 -4.603 6.787 22.582 1.00 0.00 N ATOM 0 H LYS A 97 -8.703 3.725 19.935 1.00 0.00 H new ATOM 0 HA LYS A 97 -8.769 1.926 22.141 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.284 4.931 21.891 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.058 4.034 23.379 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.417 2.524 22.127 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.557 3.603 20.753 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.521 4.357 23.522 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.544 4.124 22.086 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.773 6.036 20.981 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.662 6.294 22.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.768 7.778 22.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.563 6.713 23.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.701 6.464 22.177 1.00 0.00 H new ATOM 1485 N GLU A 98 -11.492 3.582 21.830 1.00 0.00 N ATOM 1486 CA GLU A 98 -12.875 3.606 22.316 1.00 0.00 C ATOM 1487 C GLU A 98 -13.617 2.291 22.004 1.00 0.00 C ATOM 1488 O GLU A 98 -14.359 1.787 22.850 1.00 0.00 O ATOM 1489 CB GLU A 98 -13.643 4.813 21.752 1.00 0.00 C ATOM 1490 CG GLU A 98 -13.252 6.121 22.450 1.00 0.00 C ATOM 1491 CD GLU A 98 -14.099 7.292 21.931 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -15.200 7.532 22.484 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -13.674 7.985 20.976 1.00 0.00 O ATOM 0 H GLU A 98 -11.393 3.950 20.884 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.830 3.708 23.400 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.447 4.900 20.683 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.714 4.647 21.867 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.387 6.018 23.527 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.195 6.327 22.280 1.00 0.00 H new ATOM 1500 N MET A 99 -13.400 1.700 20.820 1.00 0.00 N ATOM 1501 CA MET A 99 -14.030 0.438 20.390 1.00 0.00 C ATOM 1502 C MET A 99 -13.443 -0.816 21.043 1.00 0.00 C ATOM 1503 O MET A 99 -14.112 -1.847 21.052 1.00 0.00 O ATOM 1504 CB MET A 99 -14.005 0.295 18.857 1.00 0.00 C ATOM 1505 CG MET A 99 -15.051 1.199 18.187 1.00 0.00 C ATOM 1506 SD MET A 99 -15.528 0.717 16.503 1.00 0.00 S ATOM 1507 CE MET A 99 -16.454 -0.802 16.859 1.00 0.00 C ATOM 0 H MET A 99 -12.770 2.091 20.120 1.00 0.00 H new ATOM 0 HA MET A 99 -15.061 0.508 20.736 1.00 0.00 H new ATOM 0 HB2 MET A 99 -13.013 0.548 18.484 1.00 0.00 H new ATOM 0 HB3 MET A 99 -14.193 -0.744 18.585 1.00 0.00 H new ATOM 0 HG2 MET A 99 -15.945 1.215 18.810 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.663 2.217 18.160 1.00 0.00 H new ATOM 0 HE1 MET A 99 -17.066 -1.066 15.996 1.00 0.00 H new ATOM 0 HE2 MET A 99 -15.756 -1.612 17.070 1.00 0.00 H new ATOM 0 HE3 MET A 99 -17.097 -0.642 17.725 1.00 0.00 H new ATOM 1517 N VAL A 100 -12.241 -0.763 21.619 1.00 0.00 N ATOM 1518 CA VAL A 100 -11.699 -1.855 22.450 1.00 0.00 C ATOM 1519 C VAL A 100 -12.730 -2.359 23.478 1.00 0.00 C ATOM 1520 O VAL A 100 -13.324 -1.585 24.229 1.00 0.00 O ATOM 1521 CB VAL A 100 -10.363 -1.469 23.123 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -10.497 -0.425 24.239 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -9.632 -2.710 23.659 1.00 0.00 C ATOM 0 H VAL A 100 -11.612 0.034 21.527 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.484 -2.684 21.775 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.775 -1.004 22.332 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.513 -0.211 24.657 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.925 0.491 23.831 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.148 -0.812 25.023 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.695 -2.407 24.127 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.260 -3.212 24.395 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.422 -3.392 22.835 1.00 0.00 H new ATOM 1533 N GLY A 101 -12.964 -3.672 23.458 1.00 0.00 N ATOM 1534 CA GLY A 101 -13.936 -4.376 24.305 1.00 0.00 C ATOM 1535 C GLY A 101 -15.348 -4.490 23.715 1.00 0.00 C ATOM 1536 O GLY A 101 -16.170 -5.198 24.298 1.00 0.00 O ATOM 0 H GLY A 101 -12.464 -4.300 22.829 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.560 -5.379 24.506 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.000 -3.861 25.264 1.00 0.00 H new ATOM 1540 N GLN A 102 -15.648 -3.837 22.582 1.00 0.00 N ATOM 1541 CA GLN A 102 -16.939 -3.955 21.899 1.00 0.00 C ATOM 1542 C GLN A 102 -17.087 -5.340 21.256 1.00 0.00 C ATOM 1543 O GLN A 102 -16.113 -5.989 20.871 1.00 0.00 O ATOM 1544 CB GLN A 102 -17.122 -2.855 20.833 1.00 0.00 C ATOM 1545 CG GLN A 102 -17.278 -1.438 21.415 1.00 0.00 C ATOM 1546 CD GLN A 102 -18.574 -1.264 22.216 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -18.598 -1.354 23.437 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -19.703 -1.046 21.569 1.00 0.00 N ATOM 0 H GLN A 102 -14.995 -3.209 22.113 1.00 0.00 H new ATOM 0 HA GLN A 102 -17.717 -3.827 22.652 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -16.264 -2.868 20.161 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -18.001 -3.089 20.232 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.426 -1.219 22.059 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -17.258 -0.712 20.602 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -19.701 -0.968 20.552 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -20.578 -0.955 22.086 1.00 0.00 H new ATOM 1557 N LYS A 103 -18.343 -5.768 21.145 1.00 0.00 N ATOM 1558 CA LYS A 103 -18.757 -7.083 20.637 1.00 0.00 C ATOM 1559 C LYS A 103 -19.888 -6.980 19.593 1.00 0.00 C ATOM 1560 O LYS A 103 -20.724 -6.075 19.659 1.00 0.00 O ATOM 1561 CB LYS A 103 -19.207 -7.964 21.821 1.00 0.00 C ATOM 1562 CG LYS A 103 -18.081 -8.255 22.825 1.00 0.00 C ATOM 1563 CD LYS A 103 -18.603 -9.103 23.995 1.00 0.00 C ATOM 1564 CE LYS A 103 -17.505 -9.428 25.021 1.00 0.00 C ATOM 1565 NZ LYS A 103 -17.018 -8.222 25.751 1.00 0.00 N ATOM 0 H LYS A 103 -19.136 -5.187 21.417 1.00 0.00 H new ATOM 0 HA LYS A 103 -17.901 -7.533 20.134 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -20.029 -7.471 22.340 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -19.594 -8.908 21.436 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -17.267 -8.779 22.324 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -17.672 -7.318 23.203 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -19.414 -8.571 24.492 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -19.021 -10.032 23.608 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -17.889 -10.151 25.740 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.666 -9.901 24.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.986 -8.147 25.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.468 -7.372 25.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -17.261 -8.305 26.759 1.00 0.00 H new ATOM 1579 N MET A 104 -19.933 -7.927 18.644 1.00 0.00 N ATOM 1580 CA MET A 104 -20.927 -7.998 17.549 1.00 0.00 C ATOM 1581 C MET A 104 -21.199 -9.449 17.136 1.00 0.00 C ATOM 1582 O MET A 104 -20.347 -10.311 17.317 1.00 0.00 O ATOM 1583 CB MET A 104 -20.419 -7.221 16.315 1.00 0.00 C ATOM 1584 CG MET A 104 -20.291 -5.710 16.543 1.00 0.00 C ATOM 1585 SD MET A 104 -20.090 -4.728 15.032 1.00 0.00 S ATOM 1586 CE MET A 104 -18.530 -5.405 14.411 1.00 0.00 C ATOM 0 H MET A 104 -19.259 -8.692 18.612 1.00 0.00 H new ATOM 0 HA MET A 104 -21.851 -7.554 17.918 1.00 0.00 H new ATOM 0 HB2 MET A 104 -19.447 -7.618 16.022 1.00 0.00 H new ATOM 0 HB3 MET A 104 -21.099 -7.397 15.482 1.00 0.00 H new ATOM 0 HG2 MET A 104 -21.178 -5.360 17.072 1.00 0.00 H new ATOM 0 HG3 MET A 104 -19.437 -5.526 17.195 1.00 0.00 H new ATOM 0 HE1 MET A 104 -18.216 -4.846 13.529 1.00 0.00 H new ATOM 0 HE2 MET A 104 -17.765 -5.324 15.183 1.00 0.00 H new ATOM 0 HE3 MET A 104 -18.668 -6.453 14.146 1.00 0.00 H new ATOM 1596 N LYS A 105 -22.340 -9.728 16.505 1.00 0.00 N ATOM 1597 CA LYS A 105 -22.635 -11.044 15.893 1.00 0.00 C ATOM 1598 C LYS A 105 -23.369 -10.925 14.534 1.00 0.00 C ATOM 1599 O LYS A 105 -23.973 -11.880 14.041 1.00 0.00 O ATOM 1600 CB LYS A 105 -23.392 -11.902 16.930 1.00 0.00 C ATOM 1601 CG LYS A 105 -23.056 -13.399 16.787 1.00 0.00 C ATOM 1602 CD LYS A 105 -23.878 -14.326 17.697 1.00 0.00 C ATOM 1603 CE LYS A 105 -23.896 -13.895 19.171 1.00 0.00 C ATOM 1604 NZ LYS A 105 -24.693 -14.822 20.022 1.00 0.00 N ATOM 0 H LYS A 105 -23.095 -9.051 16.398 1.00 0.00 H new ATOM 0 HA LYS A 105 -21.701 -11.545 15.639 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -23.137 -11.566 17.935 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -24.465 -11.757 16.808 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -23.213 -13.696 15.750 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -21.998 -13.543 17.004 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -24.903 -14.366 17.328 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -23.475 -15.336 17.629 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -22.874 -13.849 19.546 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -24.309 -12.889 19.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -24.676 -14.490 21.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -25.676 -14.847 19.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -24.285 -15.777 19.971 1.00 0.00 H new ATOM 1618 N TYR A 106 -23.338 -9.728 13.934 1.00 0.00 N ATOM 1619 CA TYR A 106 -24.116 -9.363 12.742 1.00 0.00 C ATOM 1620 C TYR A 106 -23.380 -9.681 11.427 1.00 0.00 C ATOM 1621 O TYR A 106 -22.167 -9.482 11.330 1.00 0.00 O ATOM 1622 CB TYR A 106 -24.457 -7.863 12.820 1.00 0.00 C ATOM 1623 CG TYR A 106 -24.979 -7.397 14.172 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -26.237 -7.828 14.633 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -24.179 -6.571 14.991 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -26.699 -7.437 15.906 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -24.634 -6.177 16.263 1.00 0.00 C ATOM 1628 CZ TYR A 106 -25.897 -6.607 16.724 1.00 0.00 C ATOM 1629 OH TYR A 106 -26.333 -6.225 17.959 1.00 0.00 O ATOM 0 H TYR A 106 -22.754 -8.964 14.274 1.00 0.00 H new ATOM 0 HA TYR A 106 -25.026 -9.964 12.733 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -23.564 -7.288 12.573 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -25.204 -7.634 12.059 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -26.851 -8.461 14.009 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -23.213 -6.240 14.640 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -27.664 -7.771 16.257 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -24.017 -5.546 16.886 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.656 -5.658 18.384 1.00 0.00 H new ATOM 1639 N SER A 107 -24.125 -10.113 10.404 1.00 0.00 N ATOM 1640 CA SER A 107 -23.657 -10.335 9.021 1.00 0.00 C ATOM 1641 C SER A 107 -22.679 -11.526 8.864 1.00 0.00 C ATOM 1642 O SER A 107 -22.460 -12.318 9.786 1.00 0.00 O ATOM 1643 CB SER A 107 -23.084 -9.024 8.440 1.00 0.00 C ATOM 1644 OG SER A 107 -23.108 -9.053 7.019 1.00 0.00 O ATOM 0 H SER A 107 -25.116 -10.329 10.517 1.00 0.00 H new ATOM 0 HA SER A 107 -24.529 -10.628 8.437 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.665 -8.175 8.801 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.061 -8.882 8.789 1.00 0.00 H new ATOM 0 HG SER A 107 -22.743 -8.214 6.668 1.00 0.00 H new ATOM 1650 N ILE A 108 -22.092 -11.671 7.670 1.00 0.00 N ATOM 1651 CA ILE A 108 -21.026 -12.642 7.356 1.00 0.00 C ATOM 1652 C ILE A 108 -19.700 -12.133 7.946 1.00 0.00 C ATOM 1653 O ILE A 108 -19.462 -10.928 7.939 1.00 0.00 O ATOM 1654 CB ILE A 108 -20.946 -12.852 5.820 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -22.299 -13.250 5.180 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -19.869 -13.889 5.445 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -22.961 -14.514 5.750 1.00 0.00 C ATOM 0 H ILE A 108 -22.351 -11.099 6.866 1.00 0.00 H new ATOM 0 HA ILE A 108 -21.243 -13.612 7.803 1.00 0.00 H new ATOM 0 HB ILE A 108 -20.669 -11.880 5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -22.992 -12.417 5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -22.145 -13.394 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -19.842 -14.010 4.362 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -18.896 -13.546 5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -20.107 -14.845 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -23.901 -14.699 5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -22.296 -15.367 5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -23.156 -14.375 6.813 1.00 0.00 H new ATOM 1669 N VAL A 109 -18.814 -13.014 8.429 1.00 0.00 N ATOM 1670 CA VAL A 109 -17.612 -12.612 9.208 1.00 0.00 C ATOM 1671 C VAL A 109 -16.683 -11.635 8.470 1.00 0.00 C ATOM 1672 O VAL A 109 -16.143 -10.720 9.088 1.00 0.00 O ATOM 1673 CB VAL A 109 -16.802 -13.815 9.752 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -17.656 -14.642 10.729 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -16.243 -14.739 8.657 1.00 0.00 C ATOM 0 H VAL A 109 -18.900 -14.022 8.298 1.00 0.00 H new ATOM 0 HA VAL A 109 -18.029 -12.075 10.060 1.00 0.00 H new ATOM 0 HB VAL A 109 -15.944 -13.381 10.266 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -17.071 -15.483 11.101 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.962 -14.014 11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -18.540 -15.015 10.213 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.689 -15.556 9.119 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -17.066 -15.145 8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -15.578 -14.171 8.007 1.00 0.00 H new ATOM 1685 N SER A 110 -16.555 -11.760 7.146 1.00 0.00 N ATOM 1686 CA SER A 110 -15.763 -10.827 6.324 1.00 0.00 C ATOM 1687 C SER A 110 -16.386 -9.419 6.280 1.00 0.00 C ATOM 1688 O SER A 110 -15.669 -8.415 6.311 1.00 0.00 O ATOM 1689 CB SER A 110 -15.619 -11.374 4.896 1.00 0.00 C ATOM 1690 OG SER A 110 -15.085 -12.691 4.900 1.00 0.00 O ATOM 0 H SER A 110 -16.995 -12.508 6.610 1.00 0.00 H new ATOM 0 HA SER A 110 -14.781 -10.740 6.788 1.00 0.00 H new ATOM 0 HB2 SER A 110 -16.592 -11.375 4.405 1.00 0.00 H new ATOM 0 HB3 SER A 110 -14.970 -10.718 4.316 1.00 0.00 H new ATOM 0 HG SER A 110 -15.006 -13.015 3.978 1.00 0.00 H new ATOM 1696 N ARG A 111 -17.724 -9.323 6.286 1.00 0.00 N ATOM 1697 CA ARG A 111 -18.410 -8.037 6.442 1.00 0.00 C ATOM 1698 C ARG A 111 -18.408 -7.567 7.897 1.00 0.00 C ATOM 1699 O ARG A 111 -18.294 -6.376 8.133 1.00 0.00 O ATOM 1700 CB ARG A 111 -19.830 -8.079 5.858 1.00 0.00 C ATOM 1701 CG ARG A 111 -20.484 -6.684 5.785 1.00 0.00 C ATOM 1702 CD ARG A 111 -19.834 -5.741 4.762 1.00 0.00 C ATOM 1703 NE ARG A 111 -20.566 -4.466 4.720 1.00 0.00 N ATOM 1704 CZ ARG A 111 -20.401 -3.461 3.871 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -19.443 -3.447 2.971 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -21.215 -2.429 3.946 1.00 0.00 N ATOM 0 H ARG A 111 -18.350 -10.122 6.184 1.00 0.00 H new ATOM 0 HA ARG A 111 -17.848 -7.300 5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -19.795 -8.512 4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -20.450 -8.735 6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -21.539 -6.801 5.536 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.438 -6.221 6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -18.792 -5.563 5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.836 -6.204 3.775 1.00 0.00 H new ATOM 0 HE ARG A 111 -21.288 -4.340 5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -18.792 -4.229 2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -19.351 -2.654 2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -21.955 -2.413 4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -21.106 -1.645 3.302 1.00 0.00 H new ATOM 1720 N ASN A 112 -18.449 -8.462 8.879 1.00 0.00 N ATOM 1721 CA ASN A 112 -18.377 -8.120 10.307 1.00 0.00 C ATOM 1722 C ASN A 112 -17.099 -7.329 10.643 1.00 0.00 C ATOM 1723 O ASN A 112 -17.177 -6.277 11.278 1.00 0.00 O ATOM 1724 CB ASN A 112 -18.499 -9.411 11.131 1.00 0.00 C ATOM 1725 CG ASN A 112 -18.664 -9.135 12.617 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -17.699 -8.947 13.342 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -19.888 -9.094 13.105 1.00 0.00 N ATOM 0 H ASN A 112 -18.535 -9.464 8.708 1.00 0.00 H new ATOM 0 HA ASN A 112 -19.205 -7.459 10.563 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -19.352 -9.988 10.774 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -17.612 -10.024 10.974 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -20.036 -8.904 14.096 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -20.687 -9.252 12.491 1.00 0.00 H new ATOM 1734 N CYS A 113 -15.937 -7.761 10.137 1.00 0.00 N ATOM 1735 CA CYS A 113 -14.678 -7.031 10.314 1.00 0.00 C ATOM 1736 C CYS A 113 -14.595 -5.758 9.430 1.00 0.00 C ATOM 1737 O CYS A 113 -14.144 -4.717 9.910 1.00 0.00 O ATOM 1738 CB CYS A 113 -13.517 -8.035 10.186 1.00 0.00 C ATOM 1739 SG CYS A 113 -13.337 -8.642 8.483 1.00 0.00 S ATOM 0 H CYS A 113 -15.844 -8.621 9.597 1.00 0.00 H new ATOM 0 HA CYS A 113 -14.611 -6.604 11.315 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -12.589 -7.560 10.503 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.689 -8.877 10.856 1.00 0.00 H new ATOM 0 HG CYS A 113 -14.436 -8.422 7.825 1.00 0.00 H new ATOM 1745 N GLU A 114 -15.107 -5.788 8.194 1.00 0.00 N ATOM 1746 CA GLU A 114 -15.199 -4.607 7.317 1.00 0.00 C ATOM 1747 C GLU A 114 -16.112 -3.503 7.897 1.00 0.00 C ATOM 1748 O GLU A 114 -15.743 -2.328 7.913 1.00 0.00 O ATOM 1749 CB GLU A 114 -15.665 -5.055 5.921 1.00 0.00 C ATOM 1750 CG GLU A 114 -15.655 -3.928 4.883 1.00 0.00 C ATOM 1751 CD GLU A 114 -15.917 -4.487 3.475 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -17.073 -4.874 3.179 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -14.968 -4.530 2.657 1.00 0.00 O ATOM 0 H GLU A 114 -15.473 -6.639 7.767 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.209 -4.157 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -15.022 -5.864 5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.674 -5.460 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -16.415 -3.188 5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.693 -3.416 4.904 1.00 0.00 H new ATOM 1760 N HIS A 115 -17.273 -3.870 8.447 1.00 0.00 N ATOM 1761 CA HIS A 115 -18.144 -2.986 9.224 1.00 0.00 C ATOM 1762 C HIS A 115 -17.367 -2.388 10.408 1.00 0.00 C ATOM 1763 O HIS A 115 -17.363 -1.171 10.574 1.00 0.00 O ATOM 1764 CB HIS A 115 -19.386 -3.744 9.735 1.00 0.00 C ATOM 1765 CG HIS A 115 -20.531 -3.915 8.764 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -21.614 -4.744 8.957 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -20.796 -3.183 7.634 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -22.498 -4.526 7.969 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -22.038 -3.586 7.125 1.00 0.00 N ATOM 0 H HIS A 115 -17.642 -4.817 8.361 1.00 0.00 H new ATOM 0 HA HIS A 115 -18.481 -2.180 8.572 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -19.068 -4.734 10.062 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.763 -3.223 10.615 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -21.726 -5.411 9.721 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -20.156 -2.424 7.209 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -23.445 -5.035 7.867 1.00 0.00 H new ATOM 1777 N PHE A 116 -16.659 -3.219 11.185 1.00 0.00 N ATOM 1778 CA PHE A 116 -15.836 -2.788 12.318 1.00 0.00 C ATOM 1779 C PHE A 116 -14.792 -1.726 11.917 1.00 0.00 C ATOM 1780 O PHE A 116 -14.771 -0.659 12.528 1.00 0.00 O ATOM 1781 CB PHE A 116 -15.212 -4.031 12.988 1.00 0.00 C ATOM 1782 CG PHE A 116 -13.831 -3.819 13.592 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -13.692 -3.056 14.765 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -12.682 -4.331 12.951 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -12.415 -2.809 15.300 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -11.406 -4.086 13.490 1.00 0.00 C ATOM 1787 CZ PHE A 116 -11.271 -3.327 14.667 1.00 0.00 C ATOM 0 H PHE A 116 -16.644 -4.228 11.039 1.00 0.00 H new ATOM 0 HA PHE A 116 -16.470 -2.287 13.049 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -15.885 -4.377 13.773 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -15.149 -4.829 12.248 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -14.568 -2.659 15.256 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -12.783 -4.911 12.046 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -12.313 -2.220 16.199 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.529 -4.481 13.000 1.00 0.00 H new ATOM 0 HZ PHE A 116 -10.292 -3.143 15.083 1.00 0.00 H new ATOM 1797 N VAL A 117 -13.966 -1.949 10.883 1.00 0.00 N ATOM 1798 CA VAL A 117 -12.970 -0.919 10.486 1.00 0.00 C ATOM 1799 C VAL A 117 -13.614 0.348 9.899 1.00 0.00 C ATOM 1800 O VAL A 117 -13.129 1.459 10.135 1.00 0.00 O ATOM 1801 CB VAL A 117 -11.859 -1.433 9.550 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -10.952 -2.430 10.275 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -12.383 -2.047 8.246 1.00 0.00 C ATOM 0 H VAL A 117 -13.958 -2.799 10.319 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.490 -0.655 11.428 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.283 -0.552 9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.176 -2.778 9.593 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.489 -1.943 11.133 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.544 -3.280 10.615 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -11.543 -2.386 7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.029 -2.894 8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.950 -1.298 7.693 1.00 0.00 H new ATOM 1813 N THR A 118 -14.753 0.203 9.199 1.00 0.00 N ATOM 1814 CA THR A 118 -15.564 1.361 8.782 1.00 0.00 C ATOM 1815 C THR A 118 -16.035 2.097 10.019 1.00 0.00 C ATOM 1816 O THR A 118 -15.758 3.274 10.084 1.00 0.00 O ATOM 1817 CB THR A 118 -16.697 0.988 7.821 1.00 0.00 C ATOM 1818 OG1 THR A 118 -16.159 0.153 6.817 1.00 0.00 O ATOM 1819 CG2 THR A 118 -17.265 2.220 7.113 1.00 0.00 C ATOM 0 H THR A 118 -15.131 -0.699 8.911 1.00 0.00 H new ATOM 0 HA THR A 118 -14.942 2.036 8.195 1.00 0.00 H new ATOM 0 HB THR A 118 -17.487 0.506 8.397 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.044 -0.753 7.172 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.066 1.916 6.440 1.00 0.00 H new ATOM 0 HG22 THR A 118 -17.658 2.916 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.476 2.707 6.541 1.00 0.00 H new ATOM 1827 N GLN A 119 -16.572 1.440 11.047 1.00 0.00 N ATOM 1828 CA GLN A 119 -16.960 2.065 12.322 1.00 0.00 C ATOM 1829 C GLN A 119 -15.811 2.807 13.039 1.00 0.00 C ATOM 1830 O GLN A 119 -16.091 3.771 13.753 1.00 0.00 O ATOM 1831 CB GLN A 119 -17.620 1.020 13.237 1.00 0.00 C ATOM 1832 CG GLN A 119 -19.034 0.640 12.756 1.00 0.00 C ATOM 1833 CD GLN A 119 -19.522 -0.678 13.365 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -19.949 -1.594 12.674 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -19.469 -0.836 14.672 1.00 0.00 N ATOM 0 H GLN A 119 -16.755 0.437 11.021 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.683 2.844 12.081 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -16.997 0.126 13.274 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -17.676 1.412 14.253 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -19.730 1.437 13.016 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -19.035 0.558 11.669 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -19.116 -0.083 15.263 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -19.781 -1.711 15.093 1.00 0.00 H new ATOM 1844 N LEU A 120 -14.536 2.446 12.817 1.00 0.00 N ATOM 1845 CA LEU A 120 -13.392 3.243 13.294 1.00 0.00 C ATOM 1846 C LEU A 120 -13.300 4.601 12.576 1.00 0.00 C ATOM 1847 O LEU A 120 -13.135 5.625 13.244 1.00 0.00 O ATOM 1848 CB LEU A 120 -12.068 2.462 13.145 1.00 0.00 C ATOM 1849 CG LEU A 120 -11.987 1.132 13.919 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -10.667 0.425 13.587 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -12.057 1.366 15.429 1.00 0.00 C ATOM 0 H LEU A 120 -14.270 1.603 12.308 1.00 0.00 H new ATOM 0 HA LEU A 120 -13.560 3.439 14.353 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.906 2.256 12.087 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -11.250 3.103 13.474 1.00 0.00 H new ATOM 0 HG LEU A 120 -12.834 0.515 13.621 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -10.610 -0.516 14.135 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.621 0.225 12.517 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.831 1.063 13.873 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.998 0.410 15.949 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -11.225 1.999 15.738 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -12.998 1.856 15.678 1.00 0.00 H new ATOM 1863 N ARG A 121 -13.415 4.612 11.237 1.00 0.00 N ATOM 1864 CA ARG A 121 -13.375 5.846 10.403 1.00 0.00 C ATOM 1865 C ARG A 121 -14.744 6.486 10.101 1.00 0.00 C ATOM 1866 O ARG A 121 -14.801 7.563 9.512 1.00 0.00 O ATOM 1867 CB ARG A 121 -12.561 5.571 9.113 1.00 0.00 C ATOM 1868 CG ARG A 121 -13.242 4.539 8.198 1.00 0.00 C ATOM 1869 CD ARG A 121 -12.396 4.038 7.018 1.00 0.00 C ATOM 1870 NE ARG A 121 -13.122 2.939 6.339 1.00 0.00 N ATOM 1871 CZ ARG A 121 -12.624 1.823 5.816 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -11.339 1.667 5.581 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -13.436 0.832 5.506 1.00 0.00 N ATOM 0 H ARG A 121 -13.540 3.761 10.689 1.00 0.00 H new ATOM 0 HA ARG A 121 -12.874 6.604 11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -12.426 6.504 8.566 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -11.567 5.213 9.383 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -13.534 3.681 8.803 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -14.159 4.978 7.804 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -12.205 4.852 6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -11.426 3.687 7.371 1.00 0.00 H new ATOM 0 HE ARG A 121 -14.133 3.053 6.263 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -10.685 2.418 5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -10.996 0.795 5.178 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -14.439 0.925 5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -13.062 -0.028 5.104 1.00 0.00 H new ATOM 1887 N TYR A 122 -15.841 5.873 10.540 1.00 0.00 N ATOM 1888 CA TYR A 122 -17.230 6.198 10.179 1.00 0.00 C ATOM 1889 C TYR A 122 -17.631 7.623 10.617 1.00 0.00 C ATOM 1890 O TYR A 122 -18.536 8.239 10.052 1.00 0.00 O ATOM 1891 CB TYR A 122 -18.158 5.167 10.852 1.00 0.00 C ATOM 1892 CG TYR A 122 -19.655 5.399 10.749 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -20.261 5.578 9.490 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -20.450 5.367 11.914 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -21.652 5.772 9.397 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -21.842 5.559 11.826 1.00 0.00 C ATOM 1897 CZ TYR A 122 -22.448 5.771 10.565 1.00 0.00 C ATOM 1898 OH TYR A 122 -23.795 5.960 10.471 1.00 0.00 O ATOM 0 H TYR A 122 -15.788 5.092 11.194 1.00 0.00 H new ATOM 0 HA TYR A 122 -17.323 6.160 9.094 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -17.939 4.188 10.425 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -17.897 5.119 11.909 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -19.657 5.566 8.595 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -19.990 5.195 12.876 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -22.112 5.922 8.431 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -22.447 5.544 12.721 1.00 0.00 H new ATOM 0 HH TYR A 122 -24.193 5.930 11.366 1.00 0.00 H new ATOM 1908 N GLY A 123 -16.936 8.144 11.642 1.00 0.00 N ATOM 1909 CA GLY A 123 -17.243 9.428 12.284 1.00 0.00 C ATOM 1910 C GLY A 123 -16.942 10.644 11.409 1.00 0.00 C ATOM 1911 O GLY A 123 -17.564 11.691 11.593 1.00 0.00 O ATOM 0 H GLY A 123 -16.130 7.673 12.054 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -18.298 9.443 12.559 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -16.671 9.507 13.208 1.00 0.00 H new ATOM 1915 N LYS A 124 -16.018 10.509 10.450 1.00 0.00 N ATOM 1916 CA LYS A 124 -15.645 11.576 9.505 1.00 0.00 C ATOM 1917 C LYS A 124 -15.612 11.127 8.023 1.00 0.00 C ATOM 1918 O LYS A 124 -15.699 11.986 7.143 1.00 0.00 O ATOM 1919 CB LYS A 124 -14.293 12.175 9.964 1.00 0.00 C ATOM 1920 CG LYS A 124 -14.454 13.098 11.183 1.00 0.00 C ATOM 1921 CD LYS A 124 -13.110 13.728 11.590 1.00 0.00 C ATOM 1922 CE LYS A 124 -13.223 14.591 12.858 1.00 0.00 C ATOM 1923 NZ LYS A 124 -14.032 15.825 12.655 1.00 0.00 N ATOM 0 H LYS A 124 -15.499 9.643 10.304 1.00 0.00 H new ATOM 0 HA LYS A 124 -16.424 12.338 9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -13.604 11.367 10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -13.847 12.735 9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -15.172 13.885 10.953 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -14.860 12.530 12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -12.378 12.938 11.756 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -12.737 14.341 10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -13.670 13.998 13.655 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.223 14.870 13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -14.072 16.364 13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -13.594 16.409 11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -14.996 15.564 12.365 1.00 0.00 H new ATOM 1937 N SER A 125 -15.494 9.821 7.733 1.00 0.00 N ATOM 1938 CA SER A 125 -15.508 9.251 6.365 1.00 0.00 C ATOM 1939 C SER A 125 -16.899 9.321 5.716 1.00 0.00 C ATOM 1940 O SER A 125 -17.876 8.805 6.311 1.00 0.00 O ATOM 1941 CB SER A 125 -14.986 7.812 6.386 1.00 0.00 C ATOM 1942 OG SER A 125 -14.609 7.426 5.079 1.00 0.00 O ATOM 1943 OXT SER A 125 -17.015 9.922 4.623 1.00 0.00 O ATOM 0 H SER A 125 -15.383 9.111 8.457 1.00 0.00 H new ATOM 0 HA SER A 125 -14.845 9.860 5.750 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.133 7.734 7.060 1.00 0.00 H new ATOM 0 HB3 SER A 125 -15.756 7.141 6.767 1.00 0.00 H new ATOM 0 HG SER A 125 -13.773 7.875 4.834 1.00 0.00 H new