USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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 94 MET CE :methyl 139:sc= -7.55! (180deg=-8.45!) USER MOD Set 1.2: A 99 GLN : amide:sc= -2.59 K(o=-10,f=-16!) USER MOD Set 2.1: A 70 MET CE :methyl -179:sc= -0.283 (180deg=-0.257) USER MOD Set 2.2: A 72 GLN :FLIP amide:sc= -0.127 F(o=-2,f=-0.41) USER MOD Single : A 14 HIS : no HD1:sc= -15.1! C(o=-15!,f=-22!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.59 F(o=-2.9!,f=-0.59) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 31:sc= -1.49! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 63:sc= 0.705 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.64! C(o=-2.7!,f=-1.6!) USER MOD Single : A 48 GLN : amide:sc= -11.2! C(o=-11!,f=-11!) USER MOD Single : A 50 GLN : amide:sc= -0.0093 X(o=-0.0093,f=-0.073) USER MOD Single : A 65 SER OG : rot 63:sc= 1 USER MOD Single : A 66 GLN : amide:sc= -0.738 K(o=-0.74,f=-2.8) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -139:sc= -2.06 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.135 K(o=0.14,f=-5.9!) USER MOD Single : A 83 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.19) USER MOD Single : A 84 SER OG : rot 59:sc= 1.02 USER MOD Single : A 88 GLN : amide:sc= -0.0329 X(o=-0.033,f=-0.43) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -17.8! C(o=-22!,f=-18!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -3.91 F(o=-5.8!,f=-3.9) USER MOD Single : A 104 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0334) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 10 -6.753 3.993 -7.600 1.00 0.00 N ATOM 106 CA ALA A 10 -5.398 4.185 -7.111 1.00 0.00 C ATOM 107 C ALA A 10 -4.499 3.078 -7.666 1.00 0.00 C ATOM 108 O ALA A 10 -4.893 1.914 -7.704 1.00 0.00 O ATOM 109 CB ALA A 10 -5.407 4.217 -5.581 1.00 0.00 C ATOM 0 HA ALA A 10 -4.997 5.139 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.391 4.361 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.036 5.038 -5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.800 3.275 -5.200 1.00 0.00 H new ATOM 115 N PRO A 11 -3.276 3.492 -8.094 1.00 0.00 N ATOM 116 CA PRO A 11 -2.317 2.550 -8.645 1.00 0.00 C ATOM 117 C PRO A 11 -1.683 1.703 -7.540 1.00 0.00 C ATOM 118 O PRO A 11 -1.914 1.946 -6.357 1.00 0.00 O ATOM 119 CB PRO A 11 -1.307 3.407 -9.391 1.00 0.00 C ATOM 120 CG PRO A 11 -1.472 4.815 -8.844 1.00 0.00 C ATOM 121 CD PRO A 11 -2.775 4.863 -8.064 1.00 0.00 C ATOM 0 HA PRO A 11 -2.778 1.826 -9.317 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.292 3.042 -9.232 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.490 3.381 -10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.632 5.075 -8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.487 5.541 -9.657 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.612 5.203 -7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.484 5.554 -8.520 1.00 0.00 H new ATOM 129 N PRO A 12 -0.874 0.700 -7.976 1.00 0.00 N ATOM 130 CA PRO A 12 -0.204 -0.183 -7.037 1.00 0.00 C ATOM 131 C PRO A 12 0.975 0.524 -6.366 1.00 0.00 C ATOM 132 O PRO A 12 2.082 0.539 -6.904 1.00 0.00 O ATOM 133 CB PRO A 12 0.217 -1.388 -7.863 1.00 0.00 C ATOM 134 CG PRO A 12 0.182 -0.933 -9.313 1.00 0.00 C ATOM 135 CD PRO A 12 -0.577 0.383 -9.370 1.00 0.00 C ATOM 0 HA PRO A 12 -0.848 -0.488 -6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.216 -1.724 -7.583 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.459 -2.228 -7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.194 -0.807 -9.698 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.306 -1.682 -9.937 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.022 1.166 -9.835 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.490 0.288 -9.958 1.00 0.00 H new ATOM 143 N ASP A 13 0.699 1.090 -5.201 1.00 0.00 N ATOM 144 CA ASP A 13 1.724 1.795 -4.450 1.00 0.00 C ATOM 145 C ASP A 13 3.030 1.001 -4.507 1.00 0.00 C ATOM 146 O ASP A 13 4.115 1.577 -4.432 1.00 0.00 O ATOM 147 CB ASP A 13 1.325 1.945 -2.981 1.00 0.00 C ATOM 148 CG ASP A 13 2.264 2.815 -2.142 1.00 0.00 C ATOM 149 OD1 ASP A 13 3.016 2.309 -1.296 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.201 4.080 -2.387 1.00 0.00 O ATOM 0 H ASP A 13 -0.220 1.075 -4.758 1.00 0.00 H new ATOM 0 HA ASP A 13 1.847 2.783 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.322 2.369 -2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.273 0.954 -2.531 1.00 0.00 H new ATOM 156 N HIS A 14 2.884 -0.309 -4.638 1.00 0.00 N ATOM 157 CA HIS A 14 4.038 -1.188 -4.706 1.00 0.00 C ATOM 158 C HIS A 14 3.685 -2.436 -5.517 1.00 0.00 C ATOM 159 O HIS A 14 2.540 -2.885 -5.507 1.00 0.00 O ATOM 160 CB HIS A 14 4.554 -1.518 -3.304 1.00 0.00 C ATOM 161 CG HIS A 14 3.958 -2.772 -2.710 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.422 -2.816 -1.433 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.817 -4.025 -3.229 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.984 -4.044 -1.206 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.229 -4.794 -2.320 1.00 0.00 N ATOM 0 H HIS A 14 1.983 -0.783 -4.699 1.00 0.00 H new ATOM 0 HA HIS A 14 4.855 -0.682 -5.220 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.638 -1.626 -3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.341 -0.678 -2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.131 -4.339 -4.214 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.515 -4.392 -0.298 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.999 -5.781 -2.435 1.00 0.00 H new ATOM 173 N LEU A 15 4.691 -2.964 -6.200 1.00 0.00 N ATOM 174 CA LEU A 15 4.502 -4.151 -7.014 1.00 0.00 C ATOM 175 C LEU A 15 5.561 -5.192 -6.644 1.00 0.00 C ATOM 176 O LEU A 15 6.683 -4.841 -6.285 1.00 0.00 O ATOM 177 CB LEU A 15 4.492 -3.788 -8.500 1.00 0.00 C ATOM 178 CG LEU A 15 3.243 -3.061 -9.005 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.495 -2.421 -10.371 1.00 0.00 C ATOM 180 CD2 LEU A 15 2.034 -3.999 -9.024 1.00 0.00 C ATOM 0 H LEU A 15 5.640 -2.590 -6.206 1.00 0.00 H new ATOM 0 HA LEU A 15 3.529 -4.598 -6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.361 -3.163 -8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.614 -4.704 -9.078 1.00 0.00 H new ATOM 0 HG LEU A 15 3.013 -2.253 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.592 -1.911 -10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.309 -1.701 -10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.764 -3.194 -11.091 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.160 -3.458 -9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.238 -4.843 -9.683 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.842 -4.365 -8.016 1.00 0.00 H new ATOM 192 N TRP A 16 5.164 -6.453 -6.742 1.00 0.00 N ATOM 193 CA TRP A 16 6.065 -7.548 -6.422 1.00 0.00 C ATOM 194 C TRP A 16 6.018 -8.552 -7.576 1.00 0.00 C ATOM 195 O TRP A 16 5.002 -9.210 -7.789 1.00 0.00 O ATOM 196 CB TRP A 16 5.711 -8.173 -5.071 1.00 0.00 C ATOM 197 CG TRP A 16 6.052 -7.290 -3.869 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.149 -6.543 -3.678 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.242 -7.092 -2.690 1.00 0.00 C ATOM 200 NE1 TRP A 16 7.105 -5.881 -2.468 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.909 -6.225 -1.849 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.988 -7.627 -2.348 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.401 -5.816 -0.610 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.494 -7.209 -1.107 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.153 -6.337 -0.248 1.00 0.00 C ATOM 0 H TRP A 16 4.231 -6.741 -7.038 1.00 0.00 H new ATOM 0 HA TRP A 16 7.088 -7.187 -6.316 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.644 -8.396 -5.054 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.237 -9.122 -4.972 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.964 -6.469 -4.382 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.819 -5.254 -2.096 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.449 -8.306 -2.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.942 -5.136 0.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.533 -7.591 -0.795 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.704 -6.062 0.695 1.00 0.00 H new ATOM 216 N VAL A 17 7.131 -8.637 -8.290 1.00 0.00 N ATOM 217 CA VAL A 17 7.230 -9.549 -9.416 1.00 0.00 C ATOM 218 C VAL A 17 7.192 -10.991 -8.904 1.00 0.00 C ATOM 219 O VAL A 17 8.019 -11.383 -8.084 1.00 0.00 O ATOM 220 CB VAL A 17 8.485 -9.238 -10.234 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.750 -9.626 -9.465 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.438 -9.930 -11.598 1.00 0.00 C ATOM 0 H VAL A 17 7.972 -8.089 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 17 6.381 -9.420 -10.087 1.00 0.00 H new ATOM 0 HB VAL A 17 8.514 -8.162 -10.407 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.628 -9.395 -10.068 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.794 -9.066 -8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.730 -10.694 -9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.342 -9.692 -12.158 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.372 -11.009 -11.457 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.566 -9.583 -12.152 1.00 0.00 H new ATOM 232 N HIS A 18 6.222 -11.739 -9.410 1.00 0.00 N ATOM 233 CA HIS A 18 6.065 -13.127 -9.013 1.00 0.00 C ATOM 234 C HIS A 18 6.336 -14.038 -10.213 1.00 0.00 C ATOM 235 O HIS A 18 6.849 -15.145 -10.053 1.00 0.00 O ATOM 236 CB HIS A 18 4.687 -13.362 -8.391 1.00 0.00 C ATOM 237 CG HIS A 18 4.331 -14.819 -8.218 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.209 -15.821 -9.135 1.00 0.00 N flip ATOM 239 CD2 HIS A 18 4.055 -15.382 -6.985 1.00 0.00 C flip ATOM 240 CE1 HIS A 18 3.877 -16.937 -8.496 1.00 0.00 C flip ATOM 241 NE2 HIS A 18 3.780 -16.665 -7.162 1.00 0.00 N flip ATOM 0 H HIS A 18 5.538 -11.410 -10.091 1.00 0.00 H new ATOM 0 HA HIS A 18 6.795 -13.373 -8.241 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.651 -12.872 -7.418 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.932 -12.886 -9.016 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.063 -14.863 -6.038 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.711 -17.900 -8.956 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.538 -17.333 -6.430 1.00 0.00 H new ATOM 249 N GLN A 19 5.981 -13.538 -11.387 1.00 0.00 N ATOM 250 CA GLN A 19 6.180 -14.293 -12.612 1.00 0.00 C ATOM 251 C GLN A 19 6.688 -13.374 -13.725 1.00 0.00 C ATOM 252 O GLN A 19 6.504 -12.159 -13.665 1.00 0.00 O ATOM 253 CB GLN A 19 4.891 -15.004 -13.033 1.00 0.00 C ATOM 254 CG GLN A 19 4.829 -16.418 -12.452 1.00 0.00 C ATOM 255 CD GLN A 19 4.972 -17.470 -13.553 1.00 0.00 C ATOM 256 OE1 GLN A 19 6.059 -17.912 -13.889 1.00 0.00 O ATOM 257 NE2 GLN A 19 3.818 -17.845 -14.096 1.00 0.00 N ATOM 0 H GLN A 19 5.557 -12.619 -11.516 1.00 0.00 H new ATOM 0 HA GLN A 19 6.934 -15.058 -12.427 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.028 -14.430 -12.695 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.836 -15.051 -14.121 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.622 -16.547 -11.715 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.883 -16.559 -11.930 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.943 -17.435 -13.768 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.807 -18.542 -14.840 1.00 0.00 H new ATOM 266 N GLU A 20 7.318 -13.990 -14.715 1.00 0.00 N ATOM 267 CA GLU A 20 7.854 -13.243 -15.840 1.00 0.00 C ATOM 268 C GLU A 20 6.780 -12.324 -16.426 1.00 0.00 C ATOM 269 O GLU A 20 5.839 -12.791 -17.066 1.00 0.00 O ATOM 270 CB GLU A 20 8.411 -14.185 -16.909 1.00 0.00 C ATOM 271 CG GLU A 20 7.367 -15.223 -17.324 1.00 0.00 C ATOM 272 CD GLU A 20 8.037 -16.510 -17.808 1.00 0.00 C ATOM 273 OE1 GLU A 20 9.138 -16.461 -18.377 1.00 0.00 O ATOM 274 OE2 GLU A 20 7.372 -17.591 -17.576 1.00 0.00 O ATOM 0 H GLU A 20 7.469 -14.998 -14.761 1.00 0.00 H new ATOM 0 HA GLU A 20 8.678 -12.626 -15.482 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.722 -13.609 -17.780 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.299 -14.689 -16.527 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.713 -15.444 -16.480 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.739 -14.816 -18.116 1.00 0.00 H new ATOM 282 N GLY A 21 6.957 -11.032 -16.186 1.00 0.00 N ATOM 283 CA GLY A 21 6.015 -10.044 -16.683 1.00 0.00 C ATOM 284 C GLY A 21 4.752 -10.008 -15.821 1.00 0.00 C ATOM 285 O GLY A 21 3.690 -9.592 -16.285 1.00 0.00 O ATOM 0 H GLY A 21 7.738 -10.648 -15.654 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.484 -9.060 -16.689 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.749 -10.276 -17.714 1.00 0.00 H new ATOM 289 N ILE A 22 4.906 -10.450 -14.582 1.00 0.00 N ATOM 290 CA ILE A 22 3.791 -10.474 -13.651 1.00 0.00 C ATOM 291 C ILE A 22 4.215 -9.816 -12.336 1.00 0.00 C ATOM 292 O ILE A 22 5.330 -10.029 -11.863 1.00 0.00 O ATOM 293 CB ILE A 22 3.265 -11.902 -13.483 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.632 -12.408 -14.781 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.298 -11.993 -12.301 1.00 0.00 C ATOM 296 CD1 ILE A 22 3.668 -13.119 -15.654 1.00 0.00 C ATOM 0 H ILE A 22 5.787 -10.795 -14.201 1.00 0.00 H new ATOM 0 HA ILE A 22 2.955 -9.894 -14.042 1.00 0.00 H new ATOM 0 HB ILE A 22 4.109 -12.554 -13.260 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.815 -13.092 -14.549 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.201 -11.571 -15.330 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.939 -13.017 -12.203 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.813 -11.700 -11.386 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.452 -11.326 -12.471 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.193 -13.469 -16.570 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.471 -12.425 -15.904 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.079 -13.970 -15.111 1.00 0.00 H new ATOM 308 N TYR A 23 3.302 -9.033 -11.782 1.00 0.00 N ATOM 309 CA TYR A 23 3.567 -8.341 -10.532 1.00 0.00 C ATOM 310 C TYR A 23 2.360 -8.418 -9.595 1.00 0.00 C ATOM 311 O TYR A 23 1.225 -8.547 -10.050 1.00 0.00 O ATOM 312 CB TYR A 23 3.818 -6.879 -10.904 1.00 0.00 C ATOM 313 CG TYR A 23 5.278 -6.561 -11.232 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.166 -6.273 -10.216 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.706 -6.560 -12.544 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.540 -5.974 -10.524 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.080 -6.260 -12.852 1.00 0.00 C ATOM 318 CZ TYR A 23 7.930 -5.982 -11.827 1.00 0.00 C ATOM 319 OH TYR A 23 9.228 -5.699 -12.119 1.00 0.00 O ATOM 0 H TYR A 23 2.377 -8.862 -12.176 1.00 0.00 H new ATOM 0 HA TYR A 23 4.415 -8.792 -10.016 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.199 -6.622 -11.764 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.495 -6.244 -10.079 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.830 -6.272 -9.190 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.011 -6.784 -13.339 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.245 -5.748 -9.738 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.428 -6.256 -13.874 1.00 0.00 H new ATOM 0 HH TYR A 23 9.802 -5.999 -11.383 1.00 0.00 H new ATOM 329 N ARG A 24 2.647 -8.336 -8.304 1.00 0.00 N ATOM 330 CA ARG A 24 1.599 -8.393 -7.300 1.00 0.00 C ATOM 331 C ARG A 24 1.406 -7.019 -6.654 1.00 0.00 C ATOM 332 O ARG A 24 2.378 -6.353 -6.305 1.00 0.00 O ATOM 333 CB ARG A 24 1.933 -9.417 -6.213 1.00 0.00 C ATOM 334 CG ARG A 24 0.694 -10.223 -5.819 1.00 0.00 C ATOM 335 CD ARG A 24 1.020 -11.715 -5.714 1.00 0.00 C ATOM 336 NE ARG A 24 1.828 -11.973 -4.501 1.00 0.00 N ATOM 337 CZ ARG A 24 1.306 -12.159 -3.270 1.00 0.00 C ATOM 338 NH1 ARG A 24 -0.030 -12.119 -3.079 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.122 -12.383 -2.257 1.00 0.00 N ATOM 0 H ARG A 24 3.590 -8.231 -7.931 1.00 0.00 H new ATOM 0 HA ARG A 24 0.679 -8.696 -7.799 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.711 -10.091 -6.571 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.332 -8.906 -5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.310 -9.863 -4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.093 -10.070 -6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.098 -12.295 -5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.566 -12.040 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 24 2.842 -12.013 -4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.653 -11.947 -3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.416 -12.261 -2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.130 -12.413 -2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.745 -12.526 -1.320 1.00 0.00 H new ATOM 352 N ASP A 25 0.145 -6.638 -6.517 1.00 0.00 N ATOM 353 CA ASP A 25 -0.188 -5.356 -5.919 1.00 0.00 C ATOM 354 C ASP A 25 -0.126 -5.478 -4.395 1.00 0.00 C ATOM 355 O ASP A 25 0.171 -6.547 -3.865 1.00 0.00 O ATOM 356 CB ASP A 25 -1.604 -4.921 -6.302 1.00 0.00 C ATOM 357 CG ASP A 25 -1.888 -3.427 -6.137 1.00 0.00 C ATOM 358 OD1 ASP A 25 -1.040 -2.665 -5.651 1.00 0.00 O ATOM 359 OD2 ASP A 25 -3.054 -3.046 -6.539 1.00 0.00 O ATOM 0 H ASP A 25 -0.658 -7.194 -6.810 1.00 0.00 H new ATOM 0 HA ASP A 25 0.527 -4.618 -6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.784 -5.197 -7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.316 -5.480 -5.695 1.00 0.00 H new ATOM 365 N GLU A 26 -0.412 -4.366 -3.733 1.00 0.00 N ATOM 366 CA GLU A 26 -0.392 -4.335 -2.281 1.00 0.00 C ATOM 367 C GLU A 26 -1.801 -4.556 -1.726 1.00 0.00 C ATOM 368 O GLU A 26 -2.054 -4.309 -0.547 1.00 0.00 O ATOM 369 CB GLU A 26 0.197 -3.019 -1.769 1.00 0.00 C ATOM 370 CG GLU A 26 -0.835 -1.891 -1.837 1.00 0.00 C ATOM 371 CD GLU A 26 -0.244 -0.574 -1.331 1.00 0.00 C ATOM 372 OE1 GLU A 26 0.830 -0.575 -0.711 1.00 0.00 O ATOM 373 OE2 GLU A 26 -0.939 0.476 -1.605 1.00 0.00 O ATOM 0 H GLU A 26 -0.659 -3.481 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 26 0.248 -5.144 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.536 -3.144 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.071 -2.753 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.178 -1.769 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.707 -2.155 -1.239 1.00 0.00 H new ATOM 381 N TYR A 27 -2.681 -5.020 -2.601 1.00 0.00 N ATOM 382 CA TYR A 27 -4.057 -5.278 -2.214 1.00 0.00 C ATOM 383 C TYR A 27 -4.578 -6.564 -2.861 1.00 0.00 C ATOM 384 O TYR A 27 -5.771 -6.688 -3.130 1.00 0.00 O ATOM 385 CB TYR A 27 -4.871 -4.093 -2.737 1.00 0.00 C ATOM 386 CG TYR A 27 -4.983 -2.931 -1.747 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.693 -3.089 -0.574 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.376 -1.725 -2.027 1.00 0.00 C ATOM 389 CE1 TYR A 27 -5.798 -1.997 0.357 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.481 -0.631 -1.097 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.187 -0.821 0.050 1.00 0.00 C ATOM 392 OH TYR A 27 -5.287 0.212 0.929 1.00 0.00 O ATOM 0 H TYR A 27 -2.467 -5.224 -3.577 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.136 -5.396 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.415 -3.730 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.873 -4.438 -2.992 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.170 -4.033 -0.355 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.821 -1.601 -2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.350 -2.108 1.279 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.010 0.318 -1.305 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.801 0.988 0.579 1.00 0.00 H new ATOM 402 N GLN A 28 -3.655 -7.487 -3.091 1.00 0.00 N ATOM 403 CA GLN A 28 -4.007 -8.758 -3.702 1.00 0.00 C ATOM 404 C GLN A 28 -4.462 -8.544 -5.147 1.00 0.00 C ATOM 405 O GLN A 28 -5.490 -9.075 -5.563 1.00 0.00 O ATOM 406 CB GLN A 28 -5.083 -9.479 -2.890 1.00 0.00 C ATOM 407 CG GLN A 28 -4.454 -10.380 -1.825 1.00 0.00 C ATOM 408 CD GLN A 28 -5.423 -11.485 -1.399 1.00 0.00 C ATOM 409 OE1 GLN A 28 -5.420 -12.585 -1.923 1.00 0.00 O ATOM 410 NE2 GLN A 28 -6.252 -11.130 -0.420 1.00 0.00 N ATOM 0 H GLN A 28 -2.666 -7.380 -2.866 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.120 -9.392 -3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.735 -8.747 -2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.706 -10.077 -3.555 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.538 -10.825 -2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.174 -9.783 -0.957 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.202 -10.191 -0.024 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.938 -11.797 -0.065 1.00 0.00 H new ATOM 419 N ARG A 29 -3.673 -7.764 -5.874 1.00 0.00 N ATOM 420 CA ARG A 29 -3.983 -7.474 -7.263 1.00 0.00 C ATOM 421 C ARG A 29 -2.794 -7.832 -8.158 1.00 0.00 C ATOM 422 O ARG A 29 -1.717 -7.254 -8.025 1.00 0.00 O ATOM 423 CB ARG A 29 -4.327 -5.995 -7.454 1.00 0.00 C ATOM 424 CG ARG A 29 -5.809 -5.818 -7.794 1.00 0.00 C ATOM 425 CD ARG A 29 -6.373 -4.554 -7.143 1.00 0.00 C ATOM 426 NE ARG A 29 -7.840 -4.498 -7.331 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.594 -3.406 -7.083 1.00 0.00 C ATOM 428 NH1 ARG A 29 -8.025 -2.269 -6.633 1.00 0.00 N ATOM 429 NH2 ARG A 29 -9.897 -3.469 -7.287 1.00 0.00 N ATOM 0 H ARG A 29 -2.821 -7.325 -5.526 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.848 -8.076 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.090 -5.442 -6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.714 -5.575 -8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.934 -5.761 -8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.370 -6.688 -7.454 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.134 -4.545 -6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.908 -3.671 -7.581 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.311 -5.337 -7.669 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.018 -2.230 -6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.602 -1.448 -6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.319 -4.333 -7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.482 -2.653 -7.105 1.00 0.00 H new ATOM 442 N THR A 30 -3.031 -8.783 -9.049 1.00 0.00 N ATOM 443 CA THR A 30 -1.993 -9.226 -9.966 1.00 0.00 C ATOM 444 C THR A 30 -1.846 -8.235 -11.122 1.00 0.00 C ATOM 445 O THR A 30 -2.820 -7.609 -11.536 1.00 0.00 O ATOM 446 CB THR A 30 -2.339 -10.645 -10.421 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.713 -10.567 -10.788 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.317 -11.652 -9.269 1.00 0.00 C ATOM 0 H THR A 30 -3.926 -9.260 -9.156 1.00 0.00 H new ATOM 0 HA THR A 30 -1.019 -9.255 -9.478 1.00 0.00 H new ATOM 0 HB THR A 30 -1.635 -10.960 -11.191 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.816 -9.945 -11.539 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.570 -12.643 -9.647 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.322 -11.676 -8.825 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.044 -11.356 -8.513 1.00 0.00 H new ATOM 456 N TRP A 31 -0.619 -8.124 -11.611 1.00 0.00 N ATOM 457 CA TRP A 31 -0.331 -7.220 -12.712 1.00 0.00 C ATOM 458 C TRP A 31 0.518 -7.976 -13.734 1.00 0.00 C ATOM 459 O TRP A 31 1.300 -8.854 -13.370 1.00 0.00 O ATOM 460 CB TRP A 31 0.338 -5.940 -12.208 1.00 0.00 C ATOM 461 CG TRP A 31 -0.590 -5.028 -11.403 1.00 0.00 C ATOM 462 CD1 TRP A 31 -1.001 -5.180 -10.137 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.211 -3.809 -11.864 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.837 -4.152 -9.749 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.968 -3.292 -10.833 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.133 -3.164 -13.111 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.706 -2.107 -10.943 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.877 -1.982 -13.205 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.646 -1.449 -12.176 1.00 0.00 C ATOM 0 H TRP A 31 0.187 -8.645 -11.265 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.252 -6.896 -13.197 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.193 -6.209 -11.588 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.725 -5.384 -13.062 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.714 -6.003 -9.500 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.277 -4.044 -8.835 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.546 -3.550 -13.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.290 -1.722 -10.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.852 -1.446 -14.142 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.194 -0.531 -12.328 1.00 0.00 H new ATOM 480 N VAL A 32 0.337 -7.608 -14.994 1.00 0.00 N ATOM 481 CA VAL A 32 1.077 -8.243 -16.072 1.00 0.00 C ATOM 482 C VAL A 32 2.003 -7.212 -16.723 1.00 0.00 C ATOM 483 O VAL A 32 1.595 -6.496 -17.636 1.00 0.00 O ATOM 484 CB VAL A 32 0.106 -8.885 -17.066 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.711 -8.934 -18.470 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.309 -10.282 -16.599 1.00 0.00 C ATOM 0 H VAL A 32 -0.311 -6.879 -15.293 1.00 0.00 H new ATOM 0 HA VAL A 32 1.704 -9.047 -15.685 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.789 -8.265 -17.109 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.001 -9.395 -19.156 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.935 -7.921 -18.805 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.629 -9.521 -18.450 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.999 -10.717 -17.322 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.575 -10.915 -16.514 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.799 -10.210 -15.628 1.00 0.00 H new ATOM 496 N ALA A 33 3.231 -7.173 -16.228 1.00 0.00 N ATOM 497 CA ALA A 33 4.218 -6.242 -16.749 1.00 0.00 C ATOM 498 C ALA A 33 4.757 -6.770 -18.081 1.00 0.00 C ATOM 499 O ALA A 33 5.452 -7.785 -18.114 1.00 0.00 O ATOM 500 CB ALA A 33 5.324 -6.037 -15.713 1.00 0.00 C ATOM 0 H ALA A 33 3.565 -7.771 -15.472 1.00 0.00 H new ATOM 0 HA ALA A 33 3.765 -5.269 -16.939 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.064 -5.339 -16.104 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.894 -5.634 -14.796 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.804 -6.992 -15.499 1.00 0.00 H new ATOM 506 N VAL A 34 4.416 -6.058 -19.145 1.00 0.00 N ATOM 507 CA VAL A 34 4.856 -6.443 -20.475 1.00 0.00 C ATOM 508 C VAL A 34 6.008 -5.534 -20.908 1.00 0.00 C ATOM 509 O VAL A 34 5.781 -4.427 -21.394 1.00 0.00 O ATOM 510 CB VAL A 34 3.674 -6.413 -21.446 1.00 0.00 C ATOM 511 CG1 VAL A 34 4.138 -6.662 -22.882 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.601 -7.423 -21.034 1.00 0.00 C ATOM 0 H VAL A 34 3.840 -5.217 -19.113 1.00 0.00 H new ATOM 0 HA VAL A 34 5.232 -7.466 -20.472 1.00 0.00 H new ATOM 0 HB VAL A 34 3.231 -5.418 -21.405 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.279 -6.635 -23.552 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.849 -5.889 -23.174 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.617 -7.639 -22.945 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.772 -7.382 -21.740 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.027 -8.426 -21.033 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.239 -7.182 -20.035 1.00 0.00 H new ATOM 522 N VAL A 35 7.219 -6.036 -20.717 1.00 0.00 N ATOM 523 CA VAL A 35 8.408 -5.283 -21.080 1.00 0.00 C ATOM 524 C VAL A 35 8.431 -5.074 -22.596 1.00 0.00 C ATOM 525 O VAL A 35 8.532 -6.035 -23.356 1.00 0.00 O ATOM 526 CB VAL A 35 9.658 -5.993 -20.557 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.776 -7.400 -21.145 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.915 -5.170 -20.843 1.00 0.00 C ATOM 0 H VAL A 35 7.403 -6.955 -20.315 1.00 0.00 H new ATOM 0 HA VAL A 35 8.392 -4.297 -20.615 1.00 0.00 H new ATOM 0 HB VAL A 35 9.561 -6.090 -19.476 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.673 -7.882 -20.757 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.900 -7.985 -20.867 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.839 -7.336 -22.231 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.790 -5.697 -20.461 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.019 -5.026 -21.918 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.834 -4.200 -20.353 1.00 0.00 H new ATOM 538 N GLU A 36 8.332 -3.813 -22.988 1.00 0.00 N ATOM 539 CA GLU A 36 8.339 -3.466 -24.400 1.00 0.00 C ATOM 540 C GLU A 36 9.072 -2.141 -24.618 1.00 0.00 C ATOM 541 O GLU A 36 8.552 -1.077 -24.282 1.00 0.00 O ATOM 542 CB GLU A 36 6.915 -3.402 -24.956 1.00 0.00 C ATOM 543 CG GLU A 36 6.878 -3.840 -26.421 1.00 0.00 C ATOM 544 CD GLU A 36 5.698 -4.778 -26.684 1.00 0.00 C ATOM 545 OE1 GLU A 36 5.213 -5.440 -25.754 1.00 0.00 O ATOM 546 OE2 GLU A 36 5.283 -4.804 -27.905 1.00 0.00 O ATOM 0 H GLU A 36 8.247 -3.019 -22.354 1.00 0.00 H new ATOM 0 HA GLU A 36 8.872 -4.247 -24.943 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.261 -4.043 -24.365 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.531 -2.386 -24.867 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.801 -2.964 -27.064 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.811 -4.342 -26.678 1.00 0.00 H new ATOM 611 N PHE A 41 13.783 3.008 -25.173 1.00 0.00 N ATOM 612 CA PHE A 41 13.420 3.105 -23.770 1.00 0.00 C ATOM 613 C PHE A 41 13.020 1.737 -23.211 1.00 0.00 C ATOM 614 O PHE A 41 12.975 0.752 -23.946 1.00 0.00 O ATOM 615 CB PHE A 41 12.220 4.050 -23.682 1.00 0.00 C ATOM 616 CG PHE A 41 12.548 5.504 -24.025 1.00 0.00 C ATOM 617 CD1 PHE A 41 13.688 6.075 -23.551 1.00 0.00 C ATOM 618 CD2 PHE A 41 11.699 6.226 -24.806 1.00 0.00 C ATOM 619 CE1 PHE A 41 13.991 7.426 -23.870 1.00 0.00 C ATOM 620 CE2 PHE A 41 12.003 7.576 -25.124 1.00 0.00 C ATOM 621 CZ PHE A 41 13.143 8.147 -24.649 1.00 0.00 C ATOM 0 HA PHE A 41 14.268 3.470 -23.191 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.441 3.695 -24.356 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.811 4.009 -22.672 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.363 5.502 -22.932 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.795 5.772 -25.184 1.00 0.00 H new ATOM 0 HE1 PHE A 41 14.896 7.880 -23.493 1.00 0.00 H new ATOM 0 HE2 PHE A 41 11.329 8.150 -25.743 1.00 0.00 H new ATOM 0 HZ PHE A 41 13.374 9.174 -24.891 1.00 0.00 H new ATOM 631 N LEU A 42 12.738 1.722 -21.917 1.00 0.00 N ATOM 632 CA LEU A 42 12.343 0.493 -21.251 1.00 0.00 C ATOM 633 C LEU A 42 10.952 0.674 -20.639 1.00 0.00 C ATOM 634 O LEU A 42 10.827 1.061 -19.479 1.00 0.00 O ATOM 635 CB LEU A 42 13.408 0.063 -20.241 1.00 0.00 C ATOM 636 CG LEU A 42 14.614 -0.684 -20.815 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.230 -2.103 -21.238 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.252 0.103 -21.961 1.00 0.00 C ATOM 0 H LEU A 42 12.775 2.542 -21.312 1.00 0.00 H new ATOM 0 HA LEU A 42 12.272 -0.323 -21.970 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.769 0.952 -19.723 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.935 -0.572 -19.492 1.00 0.00 H new ATOM 0 HG LEU A 42 15.365 -0.775 -20.030 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.105 -2.612 -21.642 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.858 -2.652 -20.373 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.452 -2.058 -22.000 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.107 -0.450 -22.351 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.520 0.247 -22.756 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.585 1.074 -21.594 1.00 0.00 H new ATOM 650 N ARG A 43 9.942 0.384 -21.447 1.00 0.00 N ATOM 651 CA ARG A 43 8.566 0.513 -20.999 1.00 0.00 C ATOM 652 C ARG A 43 8.033 -0.843 -20.529 1.00 0.00 C ATOM 653 O ARG A 43 8.017 -1.806 -21.293 1.00 0.00 O ATOM 654 CB ARG A 43 7.670 1.044 -22.119 1.00 0.00 C ATOM 655 CG ARG A 43 6.374 1.630 -21.554 1.00 0.00 C ATOM 656 CD ARG A 43 5.219 1.459 -22.541 1.00 0.00 C ATOM 657 NE ARG A 43 5.680 1.755 -23.916 1.00 0.00 N ATOM 658 CZ ARG A 43 5.137 1.217 -25.029 1.00 0.00 C ATOM 659 NH1 ARG A 43 4.106 0.351 -24.939 1.00 0.00 N ATOM 660 NH2 ARG A 43 5.629 1.552 -26.207 1.00 0.00 N ATOM 0 H ARG A 43 10.049 0.060 -22.408 1.00 0.00 H new ATOM 0 HA ARG A 43 8.551 1.221 -20.171 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.203 1.809 -22.684 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.436 0.238 -22.815 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.128 1.138 -20.613 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.515 2.688 -21.334 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.833 0.441 -22.489 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.399 2.125 -22.272 1.00 0.00 H new ATOM 0 HE ARG A 43 6.457 2.406 -24.030 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.731 0.098 -24.025 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.702 -0.051 -25.785 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.408 2.208 -26.267 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.231 1.155 -27.058 1.00 0.00 H new ATOM 673 N ALA A 44 7.610 -0.873 -19.275 1.00 0.00 N ATOM 674 CA ALA A 44 7.079 -2.094 -18.693 1.00 0.00 C ATOM 675 C ALA A 44 5.573 -1.936 -18.472 1.00 0.00 C ATOM 676 O ALA A 44 5.133 -1.622 -17.367 1.00 0.00 O ATOM 677 CB ALA A 44 7.827 -2.410 -17.397 1.00 0.00 C ATOM 0 H ALA A 44 7.624 -0.071 -18.645 1.00 0.00 H new ATOM 0 HA ALA A 44 7.227 -2.936 -19.369 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.428 -3.326 -16.961 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.887 -2.542 -17.612 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.699 -1.587 -16.693 1.00 0.00 H new ATOM 683 N ARG A 45 4.823 -2.162 -19.541 1.00 0.00 N ATOM 684 CA ARG A 45 3.376 -2.048 -19.479 1.00 0.00 C ATOM 685 C ARG A 45 2.813 -3.012 -18.433 1.00 0.00 C ATOM 686 O ARG A 45 2.841 -4.227 -18.624 1.00 0.00 O ATOM 687 CB ARG A 45 2.741 -2.352 -20.837 1.00 0.00 C ATOM 688 CG ARG A 45 1.261 -1.961 -20.849 1.00 0.00 C ATOM 689 CD ARG A 45 0.417 -3.036 -21.535 1.00 0.00 C ATOM 690 NE ARG A 45 1.194 -3.675 -22.621 1.00 0.00 N ATOM 691 CZ ARG A 45 1.348 -3.145 -23.853 1.00 0.00 C ATOM 692 NH1 ARG A 45 0.777 -1.963 -24.168 1.00 0.00 N ATOM 693 NH2 ARG A 45 2.064 -3.802 -24.747 1.00 0.00 N ATOM 0 H ARG A 45 5.191 -2.424 -20.456 1.00 0.00 H new ATOM 0 HA ARG A 45 3.135 -1.022 -19.200 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.271 -1.809 -21.620 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.842 -3.414 -21.061 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.911 -1.816 -19.827 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.136 -1.010 -21.367 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.109 -3.787 -20.807 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.492 -2.592 -21.940 1.00 0.00 H new ATOM 0 HE ARG A 45 1.641 -4.571 -22.426 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.224 -1.462 -23.473 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.899 -1.570 -25.101 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.491 -4.696 -24.502 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.190 -3.416 -25.683 1.00 0.00 H new ATOM 706 N VAL A 46 2.313 -2.434 -17.349 1.00 0.00 N ATOM 707 CA VAL A 46 1.744 -3.227 -16.274 1.00 0.00 C ATOM 708 C VAL A 46 0.221 -3.246 -16.411 1.00 0.00 C ATOM 709 O VAL A 46 -0.439 -2.232 -16.188 1.00 0.00 O ATOM 710 CB VAL A 46 2.215 -2.690 -14.921 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.298 -3.811 -13.884 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.558 -1.968 -15.055 1.00 0.00 C ATOM 0 H VAL A 46 2.291 -1.426 -17.194 1.00 0.00 H new ATOM 0 HA VAL A 46 2.089 -4.259 -16.337 1.00 0.00 H new ATOM 0 HB VAL A 46 1.478 -1.966 -14.574 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.635 -3.402 -12.932 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.314 -4.263 -13.757 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.004 -4.569 -14.223 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.870 -1.596 -14.079 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.308 -2.662 -15.436 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.454 -1.131 -15.746 1.00 0.00 H new ATOM 722 N GLN A 47 -0.294 -4.410 -16.779 1.00 0.00 N ATOM 723 CA GLN A 47 -1.728 -4.574 -16.949 1.00 0.00 C ATOM 724 C GLN A 47 -2.308 -5.397 -15.796 1.00 0.00 C ATOM 725 O GLN A 47 -1.750 -6.427 -15.422 1.00 0.00 O ATOM 726 CB GLN A 47 -2.051 -5.217 -18.298 1.00 0.00 C ATOM 727 CG GLN A 47 -3.552 -5.480 -18.436 1.00 0.00 C ATOM 728 CD GLN A 47 -4.039 -5.148 -19.848 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.421 -3.884 -20.006 1.00 0.00 O flip ATOM 730 NE2 GLN A 47 -4.067 -5.986 -20.736 1.00 0.00 N flip ATOM 0 H GLN A 47 0.256 -5.249 -16.964 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.191 -3.587 -16.935 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.717 -4.565 -19.105 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.503 -6.154 -18.398 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.764 -6.525 -18.211 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.098 -4.880 -17.708 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.759 -6.940 -20.547 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.398 -5.732 -21.667 1.00 0.00 H new ATOM 739 N GLN A 48 -3.421 -4.911 -15.266 1.00 0.00 N ATOM 740 CA GLN A 48 -4.082 -5.588 -14.163 1.00 0.00 C ATOM 741 C GLN A 48 -5.071 -6.628 -14.695 1.00 0.00 C ATOM 742 O GLN A 48 -5.930 -6.309 -15.516 1.00 0.00 O ATOM 743 CB GLN A 48 -4.783 -4.586 -13.244 1.00 0.00 C ATOM 744 CG GLN A 48 -5.658 -5.304 -12.216 1.00 0.00 C ATOM 745 CD GLN A 48 -4.843 -5.699 -10.982 1.00 0.00 C ATOM 746 OE1 GLN A 48 -4.087 -4.917 -10.430 1.00 0.00 O ATOM 747 NE2 GLN A 48 -5.040 -6.951 -10.581 1.00 0.00 N ATOM 0 H GLN A 48 -3.882 -4.057 -15.580 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.324 -6.103 -13.573 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.040 -3.976 -12.731 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.396 -3.909 -13.839 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.483 -4.656 -11.919 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.098 -6.194 -12.666 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.688 -7.553 -11.089 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.543 -7.309 -9.765 1.00 0.00 H new ATOM 756 N ILE A 49 -4.916 -7.849 -14.207 1.00 0.00 N ATOM 757 CA ILE A 49 -5.784 -8.938 -14.624 1.00 0.00 C ATOM 758 C ILE A 49 -5.841 -9.992 -13.516 1.00 0.00 C ATOM 759 O ILE A 49 -5.178 -9.854 -12.488 1.00 0.00 O ATOM 760 CB ILE A 49 -5.336 -9.493 -15.977 1.00 0.00 C ATOM 761 CG1 ILE A 49 -3.877 -9.949 -15.926 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.581 -8.477 -17.094 1.00 0.00 C ATOM 763 CD1 ILE A 49 -2.926 -8.775 -16.168 1.00 0.00 C ATOM 0 H ILE A 49 -4.202 -8.109 -13.526 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.801 -8.577 -14.775 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.940 -10.372 -16.203 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.666 -10.398 -14.955 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.707 -10.720 -16.677 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.254 -8.896 -18.045 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.644 -8.244 -17.147 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.020 -7.566 -16.887 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.895 -9.127 -16.126 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.123 -8.344 -17.150 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.082 -8.017 -15.401 1.00 0.00 H new ATOM 775 N GLN A 50 -6.640 -11.019 -13.762 1.00 0.00 N ATOM 776 CA GLN A 50 -6.794 -12.095 -12.797 1.00 0.00 C ATOM 777 C GLN A 50 -6.122 -13.370 -13.312 1.00 0.00 C ATOM 778 O GLN A 50 -6.628 -14.016 -14.229 1.00 0.00 O ATOM 779 CB GLN A 50 -8.270 -12.343 -12.481 1.00 0.00 C ATOM 780 CG GLN A 50 -8.714 -11.531 -11.262 1.00 0.00 C ATOM 781 CD GLN A 50 -9.399 -10.232 -11.689 1.00 0.00 C ATOM 782 OE1 GLN A 50 -10.407 -10.228 -12.377 1.00 0.00 O ATOM 783 NE2 GLN A 50 -8.799 -9.132 -11.243 1.00 0.00 N ATOM 0 H GLN A 50 -7.188 -11.129 -14.615 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.304 -11.797 -11.870 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.880 -12.074 -13.343 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.432 -13.405 -12.294 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.398 -12.124 -10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.850 -11.303 -10.638 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.958 -9.206 -10.671 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.180 -8.214 -11.473 1.00 0.00 H new ATOM 792 N VAL A 51 -4.992 -13.694 -12.701 1.00 0.00 N ATOM 793 CA VAL A 51 -4.247 -14.881 -13.086 1.00 0.00 C ATOM 794 C VAL A 51 -3.660 -15.537 -11.835 1.00 0.00 C ATOM 795 O VAL A 51 -3.003 -14.876 -11.033 1.00 0.00 O ATOM 796 CB VAL A 51 -3.184 -14.517 -14.125 1.00 0.00 C ATOM 797 CG1 VAL A 51 -2.223 -13.459 -13.577 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.424 -15.759 -14.591 1.00 0.00 C ATOM 0 H VAL A 51 -4.574 -13.155 -11.942 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.906 -15.610 -13.557 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.693 -14.092 -14.991 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.477 -13.218 -14.334 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.781 -12.559 -13.318 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.725 -13.845 -12.688 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.675 -15.472 -15.329 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.932 -16.226 -13.738 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.122 -16.466 -15.039 1.00 0.00 H new ATOM 998 N SER A 65 15.741 -9.031 -16.983 1.00 0.00 N ATOM 999 CA SER A 65 16.826 -8.306 -16.342 1.00 0.00 C ATOM 1000 C SER A 65 16.651 -6.802 -16.563 1.00 0.00 C ATOM 1001 O SER A 65 17.631 -6.081 -16.744 1.00 0.00 O ATOM 1002 CB SER A 65 18.185 -8.767 -16.870 1.00 0.00 C ATOM 1003 OG SER A 65 18.571 -8.054 -18.042 1.00 0.00 O ATOM 0 HA SER A 65 16.794 -8.516 -15.273 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.940 -8.629 -16.096 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.146 -9.834 -17.091 1.00 0.00 H new ATOM 0 HG SER A 65 18.681 -7.105 -17.826 1.00 0.00 H new ATOM 1009 N GLN A 66 15.398 -6.374 -16.541 1.00 0.00 N ATOM 1010 CA GLN A 66 15.083 -4.969 -16.737 1.00 0.00 C ATOM 1011 C GLN A 66 14.190 -4.461 -15.604 1.00 0.00 C ATOM 1012 O GLN A 66 14.571 -3.552 -14.868 1.00 0.00 O ATOM 1013 CB GLN A 66 14.425 -4.740 -18.099 1.00 0.00 C ATOM 1014 CG GLN A 66 15.463 -4.766 -19.222 1.00 0.00 C ATOM 1015 CD GLN A 66 16.332 -3.506 -19.195 1.00 0.00 C ATOM 1016 OE1 GLN A 66 16.027 -2.526 -18.535 1.00 0.00 O ATOM 1017 NE2 GLN A 66 17.425 -3.586 -19.948 1.00 0.00 N ATOM 0 H GLN A 66 14.588 -6.976 -16.390 1.00 0.00 H new ATOM 0 HA GLN A 66 16.014 -4.403 -16.720 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.673 -5.508 -18.277 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.907 -3.781 -18.100 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.093 -5.649 -19.119 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.960 -4.844 -20.186 1.00 0.00 H new ATOM 0 HE21 GLN A 66 17.620 -4.437 -20.475 1.00 0.00 H new ATOM 0 HE22 GLN A 66 18.069 -2.796 -19.998 1.00 0.00 H new ATOM 1026 N LEU A 67 13.018 -5.072 -15.499 1.00 0.00 N ATOM 1027 CA LEU A 67 12.067 -4.692 -14.468 1.00 0.00 C ATOM 1028 C LEU A 67 12.635 -5.062 -13.095 1.00 0.00 C ATOM 1029 O LEU A 67 13.288 -6.094 -12.947 1.00 0.00 O ATOM 1030 CB LEU A 67 10.695 -5.308 -14.751 1.00 0.00 C ATOM 1031 CG LEU A 67 9.986 -4.812 -16.014 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.867 -5.008 -17.250 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.619 -5.481 -16.172 1.00 0.00 C ATOM 0 H LEU A 67 12.706 -5.827 -16.110 1.00 0.00 H new ATOM 0 HA LEU A 67 11.913 -3.613 -14.471 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.812 -6.389 -14.824 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.048 -5.115 -13.895 1.00 0.00 H new ATOM 0 HG LEU A 67 9.811 -3.741 -15.911 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.340 -4.648 -18.133 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.795 -4.449 -17.128 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.095 -6.067 -17.370 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.136 -5.112 -17.077 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.749 -6.561 -16.245 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.998 -5.248 -15.307 1.00 0.00 H new ATOM 1045 N PRO A 68 12.357 -4.176 -12.101 1.00 0.00 N ATOM 1046 CA PRO A 68 12.833 -4.399 -10.747 1.00 0.00 C ATOM 1047 C PRO A 68 12.015 -5.488 -10.051 1.00 0.00 C ATOM 1048 O PRO A 68 10.913 -5.817 -10.488 1.00 0.00 O ATOM 1049 CB PRO A 68 12.721 -3.045 -10.063 1.00 0.00 C ATOM 1050 CG PRO A 68 11.760 -2.229 -10.910 1.00 0.00 C ATOM 1051 CD PRO A 68 11.587 -2.943 -12.241 1.00 0.00 C ATOM 0 HA PRO A 68 13.860 -4.763 -10.717 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.349 -3.152 -9.044 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.694 -2.558 -9.998 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.800 -2.126 -10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.148 -1.222 -11.065 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.537 -3.153 -12.445 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.957 -2.336 -13.067 1.00 0.00 H new ATOM 1059 N LEU A 69 12.586 -6.019 -8.979 1.00 0.00 N ATOM 1060 CA LEU A 69 11.923 -7.065 -8.218 1.00 0.00 C ATOM 1061 C LEU A 69 10.715 -6.473 -7.491 1.00 0.00 C ATOM 1062 O LEU A 69 9.814 -7.204 -7.083 1.00 0.00 O ATOM 1063 CB LEU A 69 12.919 -7.763 -7.290 1.00 0.00 C ATOM 1064 CG LEU A 69 12.882 -9.293 -7.295 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.548 -9.811 -6.753 1.00 0.00 C ATOM 1066 CD2 LEU A 69 13.187 -9.843 -8.690 1.00 0.00 C ATOM 0 H LEU A 69 13.500 -5.744 -8.620 1.00 0.00 H new ATOM 0 HA LEU A 69 11.545 -7.841 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.925 -7.443 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.739 -7.418 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 69 13.663 -9.657 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.548 -10.901 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.411 -9.462 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.734 -9.440 -7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.155 -10.932 -8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.445 -9.473 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.179 -9.516 -9.001 1.00 0.00 H new ATOM 1078 N MET A 70 10.734 -5.155 -7.353 1.00 0.00 N ATOM 1079 CA MET A 70 9.651 -4.457 -6.682 1.00 0.00 C ATOM 1080 C MET A 70 9.649 -2.971 -7.044 1.00 0.00 C ATOM 1081 O MET A 70 10.708 -2.364 -7.198 1.00 0.00 O ATOM 1082 CB MET A 70 9.803 -4.615 -5.168 1.00 0.00 C ATOM 1083 CG MET A 70 8.737 -3.808 -4.423 1.00 0.00 C ATOM 1084 SD MET A 70 9.398 -3.200 -2.880 1.00 0.00 S ATOM 1085 CE MET A 70 10.013 -1.612 -3.412 1.00 0.00 C ATOM 0 H MET A 70 11.483 -4.552 -7.695 1.00 0.00 H new ATOM 0 HA MET A 70 8.706 -4.891 -7.008 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.721 -5.668 -4.899 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.795 -4.284 -4.862 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.404 -2.973 -5.040 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.864 -4.432 -4.233 1.00 0.00 H new ATOM 0 HE1 MET A 70 10.478 -1.101 -2.569 1.00 0.00 H new ATOM 0 HE2 MET A 70 10.750 -1.753 -4.202 1.00 0.00 H new ATOM 0 HE3 MET A 70 9.187 -1.010 -3.790 1.00 0.00 H new ATOM 1095 N TRP A 71 8.448 -2.426 -7.170 1.00 0.00 N ATOM 1096 CA TRP A 71 8.294 -1.022 -7.510 1.00 0.00 C ATOM 1097 C TRP A 71 7.781 -0.289 -6.268 1.00 0.00 C ATOM 1098 O TRP A 71 7.145 -0.892 -5.406 1.00 0.00 O ATOM 1099 CB TRP A 71 7.383 -0.849 -8.726 1.00 0.00 C ATOM 1100 CG TRP A 71 8.121 -0.875 -10.065 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.238 -0.215 -10.405 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.748 -1.626 -11.239 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.609 -0.488 -11.706 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.674 -1.372 -12.229 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.662 -2.494 -11.457 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.610 -1.946 -13.505 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.612 -3.059 -12.736 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.537 -2.813 -13.744 1.00 0.00 C ATOM 0 H TRP A 71 7.572 -2.932 -7.043 1.00 0.00 H new ATOM 0 HA TRP A 71 9.251 -0.588 -7.800 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.633 -1.640 -8.721 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.849 0.097 -8.635 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.779 0.446 -9.744 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.421 -0.110 -12.194 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.925 -2.707 -10.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.348 -1.731 -14.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.798 -3.734 -12.955 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.428 -3.289 -14.708 1.00 0.00 H new ATOM 1119 N GLN A 72 8.078 1.002 -6.218 1.00 0.00 N ATOM 1120 CA GLN A 72 7.654 1.823 -5.098 1.00 0.00 C ATOM 1121 C GLN A 72 7.141 3.176 -5.595 1.00 0.00 C ATOM 1122 O GLN A 72 7.919 4.110 -5.780 1.00 0.00 O ATOM 1123 CB GLN A 72 8.792 2.007 -4.091 1.00 0.00 C ATOM 1124 CG GLN A 72 8.244 2.263 -2.685 1.00 0.00 C ATOM 1125 CD GLN A 72 7.882 0.949 -1.989 1.00 0.00 C ATOM 1126 OE1 GLN A 72 6.660 0.505 -2.274 1.00 0.00 O flip ATOM 1127 NE2 GLN A 72 8.660 0.376 -1.244 1.00 0.00 N flip ATOM 0 H GLN A 72 8.607 1.498 -6.935 1.00 0.00 H new ATOM 0 HA GLN A 72 6.838 1.311 -4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.423 1.118 -4.083 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.422 2.842 -4.397 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.986 2.799 -2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.363 2.901 -2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.583 0.772 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.387 -0.499 -0.797 1.00 0.00 H new ATOM 1136 N LEU A 73 5.832 3.238 -5.799 1.00 0.00 N ATOM 1137 CA LEU A 73 5.207 4.461 -6.273 1.00 0.00 C ATOM 1138 C LEU A 73 5.836 5.660 -5.561 1.00 0.00 C ATOM 1139 O LEU A 73 5.854 5.718 -4.333 1.00 0.00 O ATOM 1140 CB LEU A 73 3.687 4.379 -6.114 1.00 0.00 C ATOM 1141 CG LEU A 73 2.934 5.710 -6.185 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.422 6.554 -7.363 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.420 5.481 -6.231 1.00 0.00 C ATOM 0 H LEU A 73 5.189 2.462 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 73 5.388 4.594 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.295 3.720 -6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.466 3.910 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 73 3.148 6.273 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.871 7.494 -7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.486 6.761 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.258 6.010 -8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.908 6.442 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.168 4.889 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.105 4.949 -5.334 1.00 0.00 H new ATOM 1155 N TYR A 74 6.337 6.587 -6.365 1.00 0.00 N ATOM 1156 CA TYR A 74 6.965 7.782 -5.826 1.00 0.00 C ATOM 1157 C TYR A 74 6.251 9.044 -6.314 1.00 0.00 C ATOM 1158 O TYR A 74 5.263 8.961 -7.041 1.00 0.00 O ATOM 1159 CB TYR A 74 8.398 7.781 -6.363 1.00 0.00 C ATOM 1160 CG TYR A 74 9.470 7.748 -5.273 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.275 6.990 -4.136 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.634 8.475 -5.425 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.284 6.959 -3.109 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.644 8.443 -4.399 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.419 7.686 -3.291 1.00 0.00 C ATOM 1166 OH TYR A 74 12.372 7.656 -2.323 1.00 0.00 O ATOM 0 H TYR A 74 6.321 6.535 -7.384 1.00 0.00 H new ATOM 0 HA TYR A 74 6.926 7.780 -4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.530 6.917 -7.015 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.546 8.669 -6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.365 6.420 -4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.787 9.068 -6.314 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.143 6.371 -2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.559 9.007 -4.507 1.00 0.00 H new ATOM 0 HH TYR A 74 13.127 8.221 -2.590 1.00 0.00 H new ATOM 1176 N PRO A 75 6.793 10.214 -5.882 1.00 0.00 N ATOM 1177 CA PRO A 75 6.218 11.492 -6.267 1.00 0.00 C ATOM 1178 C PRO A 75 6.558 11.831 -7.720 1.00 0.00 C ATOM 1179 O PRO A 75 7.432 11.206 -8.319 1.00 0.00 O ATOM 1180 CB PRO A 75 6.787 12.494 -5.275 1.00 0.00 C ATOM 1181 CG PRO A 75 8.011 11.829 -4.667 1.00 0.00 C ATOM 1182 CD PRO A 75 7.963 10.351 -5.020 1.00 0.00 C ATOM 0 HA PRO A 75 5.129 11.491 -6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.055 13.426 -5.772 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.055 12.742 -4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.923 12.284 -5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.020 11.963 -3.585 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.872 10.037 -5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.871 9.733 -4.127 1.00 0.00 H new ATOM 1190 N GLU A 76 5.849 12.820 -8.245 1.00 0.00 N ATOM 1191 CA GLU A 76 6.064 13.248 -9.616 1.00 0.00 C ATOM 1192 C GLU A 76 5.386 12.281 -10.588 1.00 0.00 C ATOM 1193 O GLU A 76 5.555 12.394 -11.801 1.00 0.00 O ATOM 1194 CB GLU A 76 7.558 13.376 -9.923 1.00 0.00 C ATOM 1195 CG GLU A 76 7.897 14.782 -10.420 1.00 0.00 C ATOM 1196 CD GLU A 76 8.008 15.765 -9.252 1.00 0.00 C ATOM 1197 OE1 GLU A 76 7.028 16.448 -8.921 1.00 0.00 O ATOM 1198 OE2 GLU A 76 9.164 15.805 -8.682 1.00 0.00 O ATOM 0 H GLU A 76 5.125 13.337 -7.745 1.00 0.00 H new ATOM 0 HA GLU A 76 5.615 14.233 -9.742 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.137 13.154 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.842 12.642 -10.677 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.837 14.760 -10.972 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.128 15.122 -11.114 1.00 0.00 H new ATOM 1206 N GLU A 77 4.633 11.351 -10.018 1.00 0.00 N ATOM 1207 CA GLU A 77 3.928 10.364 -10.819 1.00 0.00 C ATOM 1208 C GLU A 77 4.919 9.371 -11.430 1.00 0.00 C ATOM 1209 O GLU A 77 4.879 9.109 -12.631 1.00 0.00 O ATOM 1210 CB GLU A 77 3.088 11.039 -11.904 1.00 0.00 C ATOM 1211 CG GLU A 77 2.150 10.033 -12.575 1.00 0.00 C ATOM 1212 CD GLU A 77 0.998 10.748 -13.286 1.00 0.00 C ATOM 1213 OE1 GLU A 77 0.598 11.845 -12.870 1.00 0.00 O ATOM 1214 OE2 GLU A 77 0.517 10.123 -14.307 1.00 0.00 O ATOM 0 H GLU A 77 4.496 11.260 -9.011 1.00 0.00 H new ATOM 0 HA GLU A 77 3.248 9.814 -10.169 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.505 11.849 -11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.744 11.485 -12.652 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.708 9.432 -13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.751 9.347 -11.827 1.00 0.00 H new ATOM 1222 N ARG A 78 5.784 8.845 -10.576 1.00 0.00 N ATOM 1223 CA ARG A 78 6.782 7.887 -11.017 1.00 0.00 C ATOM 1224 C ARG A 78 6.946 6.774 -9.978 1.00 0.00 C ATOM 1225 O ARG A 78 6.578 6.946 -8.817 1.00 0.00 O ATOM 1226 CB ARG A 78 8.135 8.565 -11.245 1.00 0.00 C ATOM 1227 CG ARG A 78 7.962 9.898 -11.976 1.00 0.00 C ATOM 1228 CD ARG A 78 9.189 10.792 -11.780 1.00 0.00 C ATOM 1229 NE ARG A 78 10.395 10.122 -12.314 1.00 0.00 N ATOM 1230 CZ ARG A 78 11.659 10.493 -12.022 1.00 0.00 C ATOM 1231 NH1 ARG A 78 11.894 11.535 -11.197 1.00 0.00 N ATOM 1232 NH2 ARG A 78 12.663 9.821 -12.555 1.00 0.00 N ATOM 0 H ARG A 78 5.814 9.064 -9.580 1.00 0.00 H new ATOM 0 HA ARG A 78 6.438 7.462 -11.960 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.628 8.732 -10.288 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.782 7.908 -11.826 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.805 9.717 -13.039 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.073 10.408 -11.605 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.039 11.746 -12.286 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.324 11.011 -10.721 1.00 0.00 H new ATOM 0 HE ARG A 78 10.263 9.330 -12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.113 12.049 -10.789 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.853 11.809 -10.982 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.477 9.034 -13.177 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.625 10.089 -12.345 1.00 0.00 H new ATOM 1245 N TYR A 79 7.499 5.660 -10.434 1.00 0.00 N ATOM 1246 CA TYR A 79 7.715 4.520 -9.559 1.00 0.00 C ATOM 1247 C TYR A 79 9.209 4.284 -9.325 1.00 0.00 C ATOM 1248 O TYR A 79 9.963 4.075 -10.274 1.00 0.00 O ATOM 1249 CB TYR A 79 7.128 3.311 -10.288 1.00 0.00 C ATOM 1250 CG TYR A 79 5.669 3.017 -9.932 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.827 4.048 -9.568 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.196 1.722 -9.974 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.453 3.772 -9.233 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.823 1.445 -9.638 1.00 0.00 C ATOM 1255 CZ TYR A 79 3.019 2.484 -9.285 1.00 0.00 C ATOM 1256 OH TYR A 79 1.723 2.223 -8.967 1.00 0.00 O ATOM 0 H TYR A 79 7.804 5.522 -11.398 1.00 0.00 H new ATOM 0 HA TYR A 79 7.250 4.688 -8.588 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.203 3.476 -11.363 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.731 2.433 -10.058 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.198 5.062 -9.534 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.855 0.915 -10.259 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.783 4.570 -8.947 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.441 0.435 -9.666 1.00 0.00 H new ATOM 0 HH TYR A 79 1.676 1.401 -8.436 1.00 0.00 H new ATOM 1266 N MET A 80 9.590 4.324 -8.057 1.00 0.00 N ATOM 1267 CA MET A 80 10.981 4.116 -7.687 1.00 0.00 C ATOM 1268 C MET A 80 11.224 2.667 -7.263 1.00 0.00 C ATOM 1269 O MET A 80 10.656 2.201 -6.276 1.00 0.00 O ATOM 1270 CB MET A 80 11.348 5.055 -6.536 1.00 0.00 C ATOM 1271 CG MET A 80 12.802 4.850 -6.105 1.00 0.00 C ATOM 1272 SD MET A 80 13.483 6.388 -5.505 1.00 0.00 S ATOM 1273 CE MET A 80 14.859 6.575 -6.627 1.00 0.00 C ATOM 0 H MET A 80 8.961 4.497 -7.273 1.00 0.00 H new ATOM 0 HA MET A 80 11.605 4.330 -8.555 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.198 6.090 -6.844 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.685 4.875 -5.690 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.855 4.090 -5.325 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.391 4.485 -6.946 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.398 7.493 -6.392 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.531 5.723 -6.524 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.489 6.624 -7.651 1.00 0.00 H new ATOM 1283 N ASP A 81 12.069 1.994 -8.030 1.00 0.00 N ATOM 1284 CA ASP A 81 12.396 0.607 -7.746 1.00 0.00 C ATOM 1285 C ASP A 81 13.263 0.540 -6.487 1.00 0.00 C ATOM 1286 O ASP A 81 13.456 1.546 -5.806 1.00 0.00 O ATOM 1287 CB ASP A 81 13.184 -0.021 -8.897 1.00 0.00 C ATOM 1288 CG ASP A 81 14.634 0.449 -9.020 1.00 0.00 C ATOM 1289 OD1 ASP A 81 15.125 1.231 -8.193 1.00 0.00 O ATOM 1290 OD2 ASP A 81 15.278 -0.029 -10.031 1.00 0.00 O ATOM 0 H ASP A 81 12.537 2.384 -8.848 1.00 0.00 H new ATOM 0 HA ASP A 81 11.462 0.062 -7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.178 -1.104 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.667 0.196 -9.832 1.00 0.00 H new ATOM 1296 N ASN A 82 13.765 -0.656 -6.216 1.00 0.00 N ATOM 1297 CA ASN A 82 14.608 -0.869 -5.051 1.00 0.00 C ATOM 1298 C ASN A 82 16.023 -1.226 -5.509 1.00 0.00 C ATOM 1299 O ASN A 82 16.906 -1.461 -4.686 1.00 0.00 O ATOM 1300 CB ASN A 82 14.083 -2.021 -4.193 1.00 0.00 C ATOM 1301 CG ASN A 82 14.084 -3.334 -4.979 1.00 0.00 C ATOM 1302 OD1 ASN A 82 14.122 -3.358 -6.198 1.00 0.00 O ATOM 1303 ND2 ASN A 82 14.041 -4.421 -4.215 1.00 0.00 N ATOM 0 H ASN A 82 13.604 -1.488 -6.783 1.00 0.00 H new ATOM 0 HA ASN A 82 14.606 0.048 -4.462 1.00 0.00 H new ATOM 0 HB2 ASN A 82 14.701 -2.126 -3.301 1.00 0.00 H new ATOM 0 HB3 ASN A 82 13.071 -1.796 -3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.038 -5.346 -4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.011 -4.330 -3.200 1.00 0.00 H new ATOM 1310 N ASN A 83 16.195 -1.258 -6.823 1.00 0.00 N ATOM 1311 CA ASN A 83 17.488 -1.583 -7.401 1.00 0.00 C ATOM 1312 C ASN A 83 18.369 -0.333 -7.406 1.00 0.00 C ATOM 1313 O ASN A 83 19.508 -0.369 -6.942 1.00 0.00 O ATOM 1314 CB ASN A 83 17.341 -2.064 -8.845 1.00 0.00 C ATOM 1315 CG ASN A 83 18.519 -2.951 -9.252 1.00 0.00 C ATOM 1316 OD1 ASN A 83 19.658 -2.519 -9.328 1.00 0.00 O ATOM 1317 ND2 ASN A 83 18.184 -4.212 -9.508 1.00 0.00 N ATOM 0 H ASN A 83 15.460 -1.064 -7.503 1.00 0.00 H new ATOM 0 HA ASN A 83 17.935 -2.376 -6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.409 -2.619 -8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 83 17.280 -1.205 -9.513 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.900 -4.883 -9.787 1.00 0.00 H new ATOM 0 HD22 ASN A 83 17.211 -4.508 -9.425 1.00 0.00 H new ATOM 1324 N SER A 84 17.809 0.745 -7.938 1.00 0.00 N ATOM 1325 CA SER A 84 18.530 2.004 -8.010 1.00 0.00 C ATOM 1326 C SER A 84 18.118 2.771 -9.269 1.00 0.00 C ATOM 1327 O SER A 84 18.955 3.385 -9.928 1.00 0.00 O ATOM 1328 CB SER A 84 20.043 1.774 -8.000 1.00 0.00 C ATOM 1329 OG SER A 84 20.563 1.707 -6.676 1.00 0.00 O ATOM 0 H SER A 84 16.865 0.772 -8.323 1.00 0.00 H new ATOM 0 HA SER A 84 18.274 2.596 -7.131 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.273 0.848 -8.527 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.536 2.580 -8.543 1.00 0.00 H new ATOM 0 HG SER A 84 20.130 0.974 -6.191 1.00 0.00 H new ATOM 1335 N ARG A 85 16.828 2.709 -9.565 1.00 0.00 N ATOM 1336 CA ARG A 85 16.294 3.389 -10.733 1.00 0.00 C ATOM 1337 C ARG A 85 14.889 3.918 -10.444 1.00 0.00 C ATOM 1338 O ARG A 85 14.235 3.471 -9.502 1.00 0.00 O ATOM 1339 CB ARG A 85 16.241 2.450 -11.940 1.00 0.00 C ATOM 1340 CG ARG A 85 17.640 1.961 -12.317 1.00 0.00 C ATOM 1341 CD ARG A 85 17.793 1.854 -13.836 1.00 0.00 C ATOM 1342 NE ARG A 85 18.931 0.968 -14.169 1.00 0.00 N ATOM 1343 CZ ARG A 85 19.576 0.977 -15.355 1.00 0.00 C ATOM 1344 NH1 ARG A 85 19.200 1.829 -16.333 1.00 0.00 N ATOM 1345 NH2 ARG A 85 20.580 0.142 -15.544 1.00 0.00 N ATOM 0 H ARG A 85 16.137 2.198 -9.016 1.00 0.00 H new ATOM 0 HA ARG A 85 16.958 4.222 -10.964 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.603 1.596 -11.713 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.792 2.967 -12.788 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.388 2.647 -11.920 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.825 0.989 -11.860 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.876 1.462 -14.275 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.954 2.843 -14.264 1.00 0.00 H new ATOM 0 HE ARG A 85 19.248 0.309 -13.458 1.00 0.00 H new ATOM 0 HH11 ARG A 85 18.423 2.472 -16.178 1.00 0.00 H new ATOM 0 HH12 ARG A 85 19.693 1.829 -17.226 1.00 0.00 H new ATOM 0 HH21 ARG A 85 20.858 -0.498 -14.800 1.00 0.00 H new ATOM 0 HH22 ARG A 85 21.078 0.136 -16.434 1.00 0.00 H new ATOM 1358 N LEU A 86 14.464 4.862 -11.271 1.00 0.00 N ATOM 1359 CA LEU A 86 13.148 5.456 -11.116 1.00 0.00 C ATOM 1360 C LEU A 86 12.395 5.372 -12.445 1.00 0.00 C ATOM 1361 O LEU A 86 12.803 5.979 -13.434 1.00 0.00 O ATOM 1362 CB LEU A 86 13.263 6.879 -10.563 1.00 0.00 C ATOM 1363 CG LEU A 86 12.086 7.366 -9.716 1.00 0.00 C ATOM 1364 CD1 LEU A 86 12.264 8.835 -9.326 1.00 0.00 C ATOM 1365 CD2 LEU A 86 10.756 7.120 -10.431 1.00 0.00 C ATOM 0 H LEU A 86 15.009 5.230 -12.051 1.00 0.00 H new ATOM 0 HA LEU A 86 12.564 4.900 -10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.169 6.941 -9.960 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.390 7.564 -11.401 1.00 0.00 H new ATOM 0 HG LEU A 86 12.066 6.787 -8.793 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.414 9.157 -8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.182 8.950 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.323 9.446 -10.227 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.936 7.475 -9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.748 7.656 -11.380 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.634 6.053 -10.616 1.00 0.00 H new ATOM 1377 N TRP A 87 11.308 4.615 -12.426 1.00 0.00 N ATOM 1378 CA TRP A 87 10.495 4.442 -13.619 1.00 0.00 C ATOM 1379 C TRP A 87 9.430 5.540 -13.628 1.00 0.00 C ATOM 1380 O TRP A 87 8.828 5.835 -12.597 1.00 0.00 O ATOM 1381 CB TRP A 87 9.902 3.033 -13.679 1.00 0.00 C ATOM 1382 CG TRP A 87 10.947 1.917 -13.677 1.00 0.00 C ATOM 1383 CD1 TRP A 87 11.995 1.768 -12.854 1.00 0.00 C ATOM 1384 CD2 TRP A 87 11.004 0.791 -14.579 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.719 0.633 -13.158 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.098 0.020 -14.240 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.160 0.435 -15.644 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.447 -1.154 -14.917 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.523 -0.741 -16.312 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.620 -1.528 -15.983 1.00 0.00 C ATOM 0 H TRP A 87 10.971 4.114 -11.604 1.00 0.00 H new ATOM 0 HA TRP A 87 11.103 4.540 -14.518 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.236 2.894 -12.828 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.293 2.944 -14.579 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.242 2.450 -12.054 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.556 0.304 -12.677 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.299 1.022 -15.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.308 -1.740 -14.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.907 -1.058 -17.141 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.834 -2.424 -16.547 1.00 0.00 H new ATOM 1401 N GLN A 88 9.231 6.117 -14.804 1.00 0.00 N ATOM 1402 CA GLN A 88 8.248 7.176 -14.962 1.00 0.00 C ATOM 1403 C GLN A 88 6.924 6.599 -15.465 1.00 0.00 C ATOM 1404 O GLN A 88 6.876 5.978 -16.526 1.00 0.00 O ATOM 1405 CB GLN A 88 8.764 8.267 -15.901 1.00 0.00 C ATOM 1406 CG GLN A 88 7.612 9.122 -16.432 1.00 0.00 C ATOM 1407 CD GLN A 88 8.026 10.591 -16.545 1.00 0.00 C ATOM 1408 OE1 GLN A 88 8.614 11.168 -15.645 1.00 0.00 O ATOM 1409 NE2 GLN A 88 7.688 11.161 -17.699 1.00 0.00 N ATOM 0 H GLN A 88 9.734 5.871 -15.657 1.00 0.00 H new ATOM 0 HA GLN A 88 8.075 7.634 -13.988 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.477 8.899 -15.373 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.298 7.812 -16.735 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.300 8.752 -17.409 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.752 9.033 -15.768 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.196 10.620 -18.410 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.921 12.139 -17.872 1.00 0.00 H new ATOM 1418 N ILE A 89 5.880 6.824 -14.680 1.00 0.00 N ATOM 1419 CA ILE A 89 4.559 6.335 -15.033 1.00 0.00 C ATOM 1420 C ILE A 89 4.130 6.954 -16.365 1.00 0.00 C ATOM 1421 O ILE A 89 3.560 8.043 -16.394 1.00 0.00 O ATOM 1422 CB ILE A 89 3.571 6.588 -13.893 1.00 0.00 C ATOM 1423 CG1 ILE A 89 4.049 5.928 -12.598 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.160 6.139 -14.278 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.704 4.437 -12.583 1.00 0.00 C ATOM 0 H ILE A 89 5.923 7.339 -13.800 1.00 0.00 H new ATOM 0 HA ILE A 89 4.579 5.254 -15.174 1.00 0.00 H new ATOM 0 HB ILE A 89 3.527 7.662 -13.711 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.127 6.057 -12.496 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.587 6.421 -11.742 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.478 6.331 -13.449 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.829 6.693 -15.156 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.166 5.073 -14.503 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.055 3.992 -11.652 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.624 4.313 -12.661 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.187 3.943 -13.426 1.00 0.00 H new ATOM 1437 N GLN A 90 4.420 6.231 -17.438 1.00 0.00 N ATOM 1438 CA GLN A 90 4.071 6.695 -18.769 1.00 0.00 C ATOM 1439 C GLN A 90 2.586 7.056 -18.834 1.00 0.00 C ATOM 1440 O GLN A 90 2.218 8.091 -19.387 1.00 0.00 O ATOM 1441 CB GLN A 90 4.427 5.646 -19.825 1.00 0.00 C ATOM 1442 CG GLN A 90 5.474 6.185 -20.802 1.00 0.00 C ATOM 1443 CD GLN A 90 4.809 6.785 -22.043 1.00 0.00 C ATOM 1444 OE1 GLN A 90 4.755 7.989 -22.228 1.00 0.00 O ATOM 1445 NE2 GLN A 90 4.309 5.881 -22.879 1.00 0.00 N ATOM 0 H GLN A 90 4.893 5.328 -17.412 1.00 0.00 H new ATOM 0 HA GLN A 90 4.652 7.592 -18.984 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.807 4.748 -19.337 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.530 5.356 -20.372 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.081 6.943 -20.308 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.148 5.381 -21.099 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.389 4.887 -22.663 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.846 6.181 -23.737 1.00 0.00 H new ATOM 1454 N HIS A 91 1.772 6.182 -18.259 1.00 0.00 N ATOM 1455 CA HIS A 91 0.335 6.396 -18.243 1.00 0.00 C ATOM 1456 C HIS A 91 -0.332 5.340 -17.358 1.00 0.00 C ATOM 1457 O HIS A 91 0.093 4.186 -17.338 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.227 6.418 -19.667 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.832 5.107 -20.108 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -1.696 4.265 -19.471 1.00 0.00 N flip ATOM 1461 CD2 HIS A 91 -0.563 4.532 -21.337 1.00 0.00 C flip ATOM 1462 CE1 HIS A 91 -1.941 3.233 -20.268 1.00 0.00 C flip ATOM 1463 NE2 HIS A 91 -1.238 3.397 -21.426 1.00 0.00 N flip ATOM 0 H HIS A 91 2.081 5.324 -17.801 1.00 0.00 H new ATOM 0 HA HIS A 91 0.114 7.373 -17.812 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.986 7.198 -19.735 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.572 6.689 -20.358 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.088 4.940 -22.096 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.590 2.401 -20.038 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.234 2.757 -22.220 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.364 5.774 -16.651 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.093 4.882 -15.766 1.00 0.00 C ATOM 1473 C HIS A 92 -3.592 5.171 -15.867 1.00 0.00 C ATOM 1474 O HIS A 92 -4.043 6.257 -15.510 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.565 4.984 -14.334 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.304 4.117 -13.343 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.475 2.765 -13.296 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -2.970 4.635 -12.246 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.206 2.472 -12.227 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.514 3.630 -11.575 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.713 6.732 -16.673 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.935 3.849 -16.076 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.510 4.709 -14.326 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.626 6.023 -14.009 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.035 5.680 -11.982 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.507 1.480 -11.924 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.066 3.709 -10.721 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.322 4.178 -16.355 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.760 4.312 -16.506 1.00 0.00 C ATOM 1490 C LEU A 93 -6.396 2.921 -16.547 1.00 0.00 C ATOM 1491 O LEU A 93 -5.725 1.920 -16.300 1.00 0.00 O ATOM 1492 CB LEU A 93 -6.094 5.176 -17.723 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.223 4.955 -18.962 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -4.060 5.948 -19.000 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.741 3.505 -19.041 1.00 0.00 C ATOM 0 H LEU A 93 -3.944 3.278 -16.651 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.185 4.833 -15.648 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.133 4.996 -17.997 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.018 6.224 -17.432 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.833 5.141 -19.846 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.457 5.769 -19.890 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.451 6.965 -19.025 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.442 5.819 -18.112 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.124 3.375 -19.930 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.154 3.268 -18.154 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.601 2.838 -19.095 1.00 0.00 H new ATOM 1507 N MET A 94 -7.683 2.903 -16.861 1.00 0.00 N ATOM 1508 CA MET A 94 -8.417 1.651 -16.937 1.00 0.00 C ATOM 1509 C MET A 94 -8.932 1.403 -18.357 1.00 0.00 C ATOM 1510 O MET A 94 -9.631 2.241 -18.923 1.00 0.00 O ATOM 1511 CB MET A 94 -9.598 1.690 -15.965 1.00 0.00 C ATOM 1512 CG MET A 94 -10.676 0.684 -16.372 1.00 0.00 C ATOM 1513 SD MET A 94 -11.459 0.007 -14.916 1.00 0.00 S ATOM 1514 CE MET A 94 -10.283 -1.269 -14.497 1.00 0.00 C ATOM 0 H MET A 94 -8.236 3.735 -17.066 1.00 0.00 H new ATOM 0 HA MET A 94 -7.741 0.839 -16.668 1.00 0.00 H new ATOM 0 HB2 MET A 94 -9.251 1.468 -14.956 1.00 0.00 H new ATOM 0 HB3 MET A 94 -10.022 2.694 -15.942 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.420 1.171 -17.002 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.233 -0.118 -16.963 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.141 -1.292 -13.417 1.00 0.00 H new ATOM 0 HE2 MET A 94 -10.659 -2.235 -14.834 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.331 -1.060 -14.984 1.00 0.00 H new ATOM 1524 N VAL A 95 -8.567 0.247 -18.891 1.00 0.00 N ATOM 1525 CA VAL A 95 -8.983 -0.122 -20.234 1.00 0.00 C ATOM 1526 C VAL A 95 -9.707 -1.469 -20.186 1.00 0.00 C ATOM 1527 O VAL A 95 -9.225 -2.416 -19.567 1.00 0.00 O ATOM 1528 CB VAL A 95 -7.775 -0.126 -21.174 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -8.071 -0.929 -22.442 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -7.343 1.301 -21.516 1.00 0.00 C ATOM 0 H VAL A 95 -7.988 -0.447 -18.418 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.685 0.611 -20.632 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.948 -0.611 -20.656 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.197 -0.916 -23.093 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.309 -1.958 -22.174 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.919 -0.485 -22.964 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.483 1.270 -22.185 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.165 1.823 -22.006 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.072 1.828 -20.601 1.00 0.00 H new ATOM 1540 N ARG A 96 -10.856 -1.510 -20.846 1.00 0.00 N ATOM 1541 CA ARG A 96 -11.652 -2.726 -20.887 1.00 0.00 C ATOM 1542 C ARG A 96 -11.825 -3.294 -19.477 1.00 0.00 C ATOM 1543 O ARG A 96 -11.792 -4.509 -19.286 1.00 0.00 O ATOM 1544 CB ARG A 96 -10.999 -3.782 -21.780 1.00 0.00 C ATOM 1545 CG ARG A 96 -11.200 -3.449 -23.260 1.00 0.00 C ATOM 1546 CD ARG A 96 -12.424 -4.174 -23.823 1.00 0.00 C ATOM 1547 NE ARG A 96 -13.626 -3.322 -23.678 1.00 0.00 N ATOM 1548 CZ ARG A 96 -14.430 -3.325 -22.593 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -14.166 -4.137 -21.548 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -15.477 -2.523 -22.571 1.00 0.00 N ATOM 0 H ARG A 96 -11.254 -0.722 -21.356 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.627 -2.471 -21.301 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.933 -3.842 -21.559 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.425 -4.761 -21.563 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.323 -2.373 -23.381 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.312 -3.734 -23.825 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.263 -4.415 -24.874 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.571 -5.118 -23.298 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.862 -2.693 -24.446 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.354 -4.754 -21.574 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.778 -4.133 -20.732 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.669 -1.913 -23.366 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.095 -2.513 -21.759 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.004 -2.390 -18.526 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.183 -2.786 -17.140 1.00 0.00 C ATOM 1565 C GLY A 97 -10.896 -3.389 -16.572 1.00 0.00 C ATOM 1566 O GLY A 97 -10.940 -4.197 -15.646 1.00 0.00 O ATOM 0 H GLY A 97 -12.029 -1.383 -18.688 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.477 -1.921 -16.546 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.992 -3.512 -17.067 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.780 -2.974 -17.153 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.482 -3.462 -16.717 1.00 0.00 C ATOM 1572 C VAL A 98 -7.542 -2.275 -16.500 1.00 0.00 C ATOM 1573 O VAL A 98 -7.492 -1.360 -17.320 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.940 -4.478 -17.723 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.410 -4.444 -17.767 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.448 -5.887 -17.409 1.00 0.00 C ATOM 0 H VAL A 98 -9.747 -2.305 -17.922 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.571 -3.984 -15.764 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.310 -4.201 -18.710 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.050 -5.176 -18.490 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.076 -3.449 -18.061 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.012 -4.683 -16.781 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.047 -6.589 -18.140 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.122 -6.177 -16.410 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.537 -5.899 -17.453 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.820 -2.328 -15.389 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.885 -1.268 -15.054 1.00 0.00 C ATOM 1588 C GLN A 99 -4.559 -1.478 -15.790 1.00 0.00 C ATOM 1589 O GLN A 99 -3.844 -2.444 -15.525 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.665 -1.188 -13.542 1.00 0.00 C ATOM 1591 CG GLN A 99 -6.992 -1.306 -12.789 1.00 0.00 C ATOM 1592 CD GLN A 99 -7.785 0.001 -12.870 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -7.559 0.843 -13.722 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -8.725 0.120 -11.936 1.00 0.00 N ATOM 0 H GLN A 99 -6.864 -3.088 -14.710 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.312 -0.318 -15.377 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.991 -1.984 -13.226 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.182 -0.244 -13.290 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.582 -2.120 -13.209 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -6.801 -1.556 -11.745 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.861 -0.624 -11.252 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.309 0.955 -11.904 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.271 -0.559 -16.699 1.00 0.00 N ATOM 1604 CA GLU A 100 -3.046 -0.632 -17.476 1.00 0.00 C ATOM 1605 C GLU A 100 -2.082 0.480 -17.052 1.00 0.00 C ATOM 1606 O GLU A 100 -2.294 1.646 -17.379 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.340 -0.560 -18.976 1.00 0.00 C ATOM 1608 CG GLU A 100 -2.053 -0.675 -19.794 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.358 -0.720 -21.291 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -2.222 0.301 -21.983 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -2.748 -1.867 -21.735 1.00 0.00 O ATOM 0 H GLU A 100 -4.866 0.241 -16.915 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.572 -1.594 -17.279 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.025 -1.361 -19.255 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.839 0.381 -19.207 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.403 0.173 -19.577 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.512 -1.575 -19.502 1.00 0.00 H new ATOM 1619 N LEU A 101 -1.046 0.078 -16.331 1.00 0.00 N ATOM 1620 CA LEU A 101 -0.050 1.024 -15.859 1.00 0.00 C ATOM 1621 C LEU A 101 1.216 0.891 -16.707 1.00 0.00 C ATOM 1622 O LEU A 101 1.799 -0.189 -16.792 1.00 0.00 O ATOM 1623 CB LEU A 101 0.191 0.846 -14.359 1.00 0.00 C ATOM 1624 CG LEU A 101 0.572 2.109 -13.585 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.576 1.848 -12.077 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.909 2.670 -14.074 1.00 0.00 C ATOM 0 H LEU A 101 -0.875 -0.891 -16.062 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.408 2.046 -15.980 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.712 0.430 -13.913 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.982 0.109 -14.224 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.185 2.869 -13.778 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.850 2.762 -11.550 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.417 1.531 -11.760 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.298 1.065 -11.845 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.156 3.568 -13.507 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.691 1.924 -13.931 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.834 2.919 -15.133 1.00 0.00 H new ATOM 1638 N LEU A 102 1.605 2.004 -17.311 1.00 0.00 N ATOM 1639 CA LEU A 102 2.792 2.024 -18.149 1.00 0.00 C ATOM 1640 C LEU A 102 3.965 2.596 -17.350 1.00 0.00 C ATOM 1641 O LEU A 102 3.883 3.708 -16.830 1.00 0.00 O ATOM 1642 CB LEU A 102 2.515 2.773 -19.454 1.00 0.00 C ATOM 1643 CG LEU A 102 1.264 2.343 -20.221 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.456 2.519 -21.728 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.863 0.911 -19.858 1.00 0.00 C ATOM 0 H LEU A 102 1.120 2.898 -17.237 1.00 0.00 H new ATOM 0 HA LEU A 102 3.068 1.011 -18.442 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.431 3.836 -19.229 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.378 2.653 -20.109 1.00 0.00 H new ATOM 0 HG LEU A 102 0.442 2.994 -19.923 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.551 2.206 -22.249 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.658 3.567 -21.949 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.296 1.910 -22.061 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.029 0.630 -20.417 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.677 0.231 -20.108 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.655 0.851 -18.790 1.00 0.00 H new ATOM 1657 N LEU A 103 5.029 1.810 -17.277 1.00 0.00 N ATOM 1658 CA LEU A 103 6.217 2.224 -16.550 1.00 0.00 C ATOM 1659 C LEU A 103 7.371 2.419 -17.536 1.00 0.00 C ATOM 1660 O LEU A 103 7.671 1.528 -18.330 1.00 0.00 O ATOM 1661 CB LEU A 103 6.530 1.235 -15.426 1.00 0.00 C ATOM 1662 CG LEU A 103 5.682 1.371 -14.158 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.677 0.065 -13.361 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.148 2.557 -13.312 1.00 0.00 C ATOM 0 H LEU A 103 5.093 0.888 -17.709 1.00 0.00 H new ATOM 0 HA LEU A 103 6.049 3.184 -16.061 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.408 0.224 -15.814 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.579 1.347 -15.152 1.00 0.00 H new ATOM 0 HG LEU A 103 4.652 1.572 -14.454 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.068 0.188 -12.465 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.262 -0.734 -13.975 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.697 -0.190 -13.074 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.529 2.631 -12.418 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.189 2.411 -13.022 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.059 3.475 -13.892 1.00 0.00 H new ATOM 1676 N LYS A 104 7.988 3.589 -17.454 1.00 0.00 N ATOM 1677 CA LYS A 104 9.102 3.910 -18.328 1.00 0.00 C ATOM 1678 C LYS A 104 10.365 4.105 -17.486 1.00 0.00 C ATOM 1679 O LYS A 104 10.354 4.848 -16.506 1.00 0.00 O ATOM 1680 CB LYS A 104 8.761 5.113 -19.211 1.00 0.00 C ATOM 1681 CG LYS A 104 9.732 5.222 -20.388 1.00 0.00 C ATOM 1682 CD LYS A 104 9.273 4.351 -21.560 1.00 0.00 C ATOM 1683 CE LYS A 104 9.077 5.191 -22.823 1.00 0.00 C ATOM 1684 NZ LYS A 104 7.861 4.761 -23.549 1.00 0.00 N ATOM 0 H LYS A 104 7.737 4.326 -16.795 1.00 0.00 H new ATOM 0 HA LYS A 104 9.298 3.085 -19.013 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.741 5.017 -19.584 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.799 6.027 -18.618 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.805 6.261 -20.709 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.729 4.916 -20.071 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.010 3.571 -21.749 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.339 3.851 -21.303 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.995 6.245 -22.557 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.948 5.093 -23.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.580 5.500 -24.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.058 3.879 -24.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.090 4.601 -22.870 1.00 0.00 H new ATOM 1697 N LEU A 105 11.424 3.423 -17.900 1.00 0.00 N ATOM 1698 CA LEU A 105 12.693 3.511 -17.198 1.00 0.00 C ATOM 1699 C LEU A 105 13.693 4.288 -18.055 1.00 0.00 C ATOM 1700 O LEU A 105 14.057 3.846 -19.144 1.00 0.00 O ATOM 1701 CB LEU A 105 13.180 2.118 -16.795 1.00 0.00 C ATOM 1702 CG LEU A 105 14.456 2.072 -15.952 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.272 2.826 -14.634 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.913 0.629 -15.728 1.00 0.00 C ATOM 0 H LEU A 105 11.428 2.807 -18.713 1.00 0.00 H new ATOM 0 HA LEU A 105 12.575 4.064 -16.266 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.383 1.623 -16.240 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.346 1.536 -17.702 1.00 0.00 H new ATOM 0 HG LEU A 105 15.247 2.579 -16.504 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.194 2.777 -14.055 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.029 3.868 -14.842 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.462 2.371 -14.065 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.822 0.624 -15.126 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.131 0.076 -15.208 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.113 0.157 -16.690 1.00 0.00 H new ATOM 1716 N LEU A 106 14.107 5.433 -17.533 1.00 0.00 N ATOM 1717 CA LEU A 106 15.060 6.276 -18.237 1.00 0.00 C ATOM 1718 C LEU A 106 16.481 5.865 -17.850 1.00 0.00 C ATOM 1719 O LEU A 106 16.710 5.375 -16.745 1.00 0.00 O ATOM 1720 CB LEU A 106 14.756 7.754 -17.985 1.00 0.00 C ATOM 1721 CG LEU A 106 13.355 8.228 -18.377 1.00 0.00 C ATOM 1722 CD1 LEU A 106 12.343 7.926 -17.270 1.00 0.00 C ATOM 1723 CD2 LEU A 106 13.364 9.710 -18.756 1.00 0.00 C ATOM 0 H LEU A 106 13.800 5.797 -16.631 1.00 0.00 H new ATOM 0 HA LEU A 106 14.970 6.136 -19.314 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.904 7.959 -16.925 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.486 8.352 -18.530 1.00 0.00 H new ATOM 0 HG LEU A 106 13.041 7.671 -19.260 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.356 8.273 -17.575 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.310 6.851 -17.090 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.641 8.438 -16.355 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.356 10.021 -19.030 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.708 10.301 -17.907 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.035 9.865 -19.601 1.00 0.00 H new