USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=16 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 -145:sc= -7.54! (180deg=-9.85!) USER MOD Set 1.2: A 99 GLN : amide:sc= -3.6! C(o=-11!,f=-20!) USER MOD Set 2.1: A 70 MET CE :methyl -173:sc= 0 (180deg=-0.0289) USER MOD Set 2.2: A 72 GLN :FLIP amide:sc= -0.0373 F(o=-0.86,f=-0.037) USER MOD Set 2.3: A 82 ASN : amide:sc= 0 X(o=-0.037,f=-0.25) USER MOD Single : A 14 HIS : no HD1:sc= -13.3! C(o=-13!,f=-20!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.46 F(o=-4!,f=-1.5) USER MOD Single : A 19 GLN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 23 TYR OH : rot 59:sc= -0.333 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.3 K(o=-0.3,f=-2.7!) USER MOD Single : A 30 THR OG1 : rot 74:sc= 1.14 USER MOD Single : A 47 GLN : amide:sc= -4.23! C(o=-4.2!,f=-3.8!) USER MOD Single : A 48 GLN :FLIP amide:sc= -5.54! C(o=-6.6!,f=-5.5!) USER MOD Single : A 50 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.0068) USER MOD Single : A 65 SER OG : rot 63:sc= 0.609 USER MOD Single : A 66 GLN : amide:sc= -3.37! C(o=-3.4!,f=-8!) USER MOD Single : A 74 TYR OH : rot 109:sc= 0.0612 USER MOD Single : A 79 TYR OH : rot -128:sc= -1.69 USER MOD Single : A 80 MET CE :methyl 156:sc= -0.977 (180deg=-1.55) USER MOD Single : A 83 ASN : amide:sc= -0.0352 K(o=-0.035,f=-1.2) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.9!) USER MOD Single : A 90 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.53) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -11.7! C(o=-15!,f=-12!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -3.16 F(o=-5.1!,f=-3.2) USER MOD Single : A 104 LYS NZ :NH3+ 138:sc= 0.247 (180deg=-0.00363) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 10 -6.863 3.768 -7.374 1.00 0.00 N ATOM 106 CA ALA A 10 -5.500 4.046 -6.956 1.00 0.00 C ATOM 107 C ALA A 10 -4.567 2.977 -7.530 1.00 0.00 C ATOM 108 O ALA A 10 -4.937 1.808 -7.618 1.00 0.00 O ATOM 109 CB ALA A 10 -5.437 4.114 -5.429 1.00 0.00 C ATOM 0 HA ALA A 10 -5.171 5.012 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.414 4.323 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.094 4.907 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.758 3.161 -5.009 1.00 0.00 H new ATOM 115 N PRO A 11 -3.344 3.429 -7.916 1.00 0.00 N ATOM 116 CA PRO A 11 -2.355 2.525 -8.479 1.00 0.00 C ATOM 117 C PRO A 11 -1.728 1.652 -7.390 1.00 0.00 C ATOM 118 O PRO A 11 -1.976 1.859 -6.204 1.00 0.00 O ATOM 119 CB PRO A 11 -1.347 3.428 -9.171 1.00 0.00 C ATOM 120 CG PRO A 11 -1.551 4.813 -8.579 1.00 0.00 C ATOM 121 CD PRO A 11 -2.871 4.808 -7.827 1.00 0.00 C ATOM 0 HA PRO A 11 -2.786 1.816 -9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.329 3.078 -9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.507 3.437 -10.249 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.730 5.066 -7.908 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.563 5.567 -9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.737 5.114 -6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.584 5.501 -8.274 1.00 0.00 H new ATOM 129 N PRO A 12 -0.906 0.669 -7.845 1.00 0.00 N ATOM 130 CA PRO A 12 -0.241 -0.236 -6.923 1.00 0.00 C ATOM 131 C PRO A 12 0.924 0.459 -6.217 1.00 0.00 C ATOM 132 O PRO A 12 2.031 0.520 -6.751 1.00 0.00 O ATOM 133 CB PRO A 12 0.200 -1.414 -7.778 1.00 0.00 C ATOM 134 CG PRO A 12 0.180 -0.917 -9.214 1.00 0.00 C ATOM 135 CD PRO A 12 -0.589 0.394 -9.243 1.00 0.00 C ATOM 0 HA PRO A 12 -0.894 -0.569 -6.116 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.197 -1.750 -7.495 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.471 -2.263 -7.649 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.196 -0.772 -9.582 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.293 -1.652 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.009 1.194 -9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.494 0.309 -9.845 1.00 0.00 H new ATOM 143 N ASP A 13 0.637 0.965 -5.027 1.00 0.00 N ATOM 144 CA ASP A 13 1.647 1.653 -4.242 1.00 0.00 C ATOM 145 C ASP A 13 2.950 0.851 -4.279 1.00 0.00 C ATOM 146 O ASP A 13 4.034 1.414 -4.134 1.00 0.00 O ATOM 147 CB ASP A 13 1.214 1.785 -2.780 1.00 0.00 C ATOM 148 CG ASP A 13 2.286 2.330 -1.834 1.00 0.00 C ATOM 149 OD1 ASP A 13 2.743 3.474 -1.979 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.658 1.517 -0.905 1.00 0.00 O ATOM 0 H ASP A 13 -0.282 0.912 -4.587 1.00 0.00 H new ATOM 0 HA ASP A 13 1.785 2.647 -4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.343 2.438 -2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.898 0.806 -2.421 1.00 0.00 H new ATOM 156 N HIS A 14 2.800 -0.451 -4.473 1.00 0.00 N ATOM 157 CA HIS A 14 3.951 -1.337 -4.531 1.00 0.00 C ATOM 158 C HIS A 14 3.618 -2.555 -5.394 1.00 0.00 C ATOM 159 O HIS A 14 2.475 -3.010 -5.418 1.00 0.00 O ATOM 160 CB HIS A 14 4.416 -1.715 -3.123 1.00 0.00 C ATOM 161 CG HIS A 14 3.789 -2.982 -2.589 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.202 -3.058 -1.338 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.661 -4.218 -3.151 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.747 -4.290 -1.164 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.033 -5.007 -2.288 1.00 0.00 N ATOM 0 H HIS A 14 1.899 -0.914 -4.592 1.00 0.00 H new ATOM 0 HA HIS A 14 4.789 -0.822 -5.001 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.500 -1.832 -3.128 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.188 -0.894 -2.443 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.011 -4.506 -4.131 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.239 -4.661 -0.286 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.802 -5.989 -2.441 1.00 0.00 H new ATOM 173 N LEU A 15 4.636 -3.049 -6.081 1.00 0.00 N ATOM 174 CA LEU A 15 4.466 -4.207 -6.942 1.00 0.00 C ATOM 175 C LEU A 15 5.538 -5.247 -6.610 1.00 0.00 C ATOM 176 O LEU A 15 6.664 -4.893 -6.261 1.00 0.00 O ATOM 177 CB LEU A 15 4.457 -3.783 -8.413 1.00 0.00 C ATOM 178 CG LEU A 15 3.207 -3.038 -8.887 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.449 -2.370 -10.243 1.00 0.00 C ATOM 180 CD2 LEU A 15 1.992 -3.968 -8.915 1.00 0.00 C ATOM 0 H LEU A 15 5.582 -2.669 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 15 3.499 -4.677 -6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.325 -3.148 -8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.580 -4.674 -9.029 1.00 0.00 H new ATOM 0 HG LEU A 15 2.989 -2.245 -8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.546 -1.847 -10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.269 -1.657 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.705 -3.129 -10.982 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.117 -3.414 -9.255 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.184 -4.797 -9.596 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.808 -4.357 -7.913 1.00 0.00 H new ATOM 192 N TRP A 16 5.152 -6.508 -6.730 1.00 0.00 N ATOM 193 CA TRP A 16 6.065 -7.602 -6.446 1.00 0.00 C ATOM 194 C TRP A 16 6.013 -8.579 -7.622 1.00 0.00 C ATOM 195 O TRP A 16 5.012 -9.264 -7.820 1.00 0.00 O ATOM 196 CB TRP A 16 5.730 -8.261 -5.106 1.00 0.00 C ATOM 197 CG TRP A 16 6.049 -7.391 -3.888 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.137 -6.640 -3.672 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.219 -7.210 -2.721 1.00 0.00 C ATOM 200 NE1 TRP A 16 7.072 -5.992 -2.456 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.867 -6.349 -1.859 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.963 -7.756 -2.404 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.337 -5.959 -0.623 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.447 -7.355 -1.166 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.087 -6.489 -0.287 1.00 0.00 C ATOM 0 H TRP A 16 4.218 -6.797 -7.020 1.00 0.00 H new ATOM 0 HA TRP A 16 7.086 -7.235 -6.343 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.670 -8.513 -5.092 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.282 -9.198 -5.025 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.962 -6.553 -4.364 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.777 -5.367 -2.066 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.438 -8.431 -3.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.865 -5.285 0.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.484 -7.746 -0.873 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.621 -6.227 0.651 1.00 0.00 H new ATOM 216 N VAL A 17 7.106 -8.612 -8.371 1.00 0.00 N ATOM 217 CA VAL A 17 7.198 -9.494 -9.522 1.00 0.00 C ATOM 218 C VAL A 17 7.332 -10.940 -9.041 1.00 0.00 C ATOM 219 O VAL A 17 8.304 -11.288 -8.371 1.00 0.00 O ATOM 220 CB VAL A 17 8.351 -9.055 -10.427 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.701 -9.273 -9.739 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.298 -9.780 -11.772 1.00 0.00 C ATOM 0 H VAL A 17 7.935 -8.042 -8.203 1.00 0.00 H new ATOM 0 HA VAL A 17 6.291 -9.434 -10.123 1.00 0.00 H new ATOM 0 HB VAL A 17 8.240 -7.987 -10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.504 -8.953 -10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.738 -8.691 -8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.824 -10.331 -9.505 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.128 -9.450 -12.396 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.372 -10.855 -11.609 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.356 -9.553 -12.271 1.00 0.00 H new ATOM 232 N HIS A 18 6.343 -11.745 -9.402 1.00 0.00 N ATOM 233 CA HIS A 18 6.338 -13.144 -9.013 1.00 0.00 C ATOM 234 C HIS A 18 6.505 -14.022 -10.256 1.00 0.00 C ATOM 235 O HIS A 18 7.064 -15.115 -10.177 1.00 0.00 O ATOM 236 CB HIS A 18 5.077 -13.481 -8.213 1.00 0.00 C ATOM 237 CG HIS A 18 4.851 -14.962 -8.019 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.851 -15.989 -8.918 1.00 0.00 N flip ATOM 239 CD2 HIS A 18 4.588 -15.525 -6.783 1.00 0.00 C flip ATOM 240 CE1 HIS A 18 4.602 -17.118 -8.265 1.00 0.00 C flip ATOM 241 NE2 HIS A 18 4.438 -16.831 -6.941 1.00 0.00 N flip ATOM 0 H HIS A 18 5.540 -11.454 -9.960 1.00 0.00 H new ATOM 0 HA HIS A 18 7.181 -13.345 -8.352 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.140 -13.002 -7.236 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.212 -13.055 -8.721 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.517 -14.990 -5.848 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.540 -18.101 -8.708 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.235 -17.505 -6.202 1.00 0.00 H new ATOM 249 N GLN A 19 6.008 -13.511 -11.373 1.00 0.00 N ATOM 250 CA GLN A 19 6.095 -14.234 -12.630 1.00 0.00 C ATOM 251 C GLN A 19 6.596 -13.310 -13.741 1.00 0.00 C ATOM 252 O GLN A 19 6.395 -12.098 -13.682 1.00 0.00 O ATOM 253 CB GLN A 19 4.746 -14.855 -13.000 1.00 0.00 C ATOM 254 CG GLN A 19 4.620 -16.270 -12.432 1.00 0.00 C ATOM 255 CD GLN A 19 4.125 -17.248 -13.501 1.00 0.00 C ATOM 256 OE1 GLN A 19 3.049 -17.104 -14.059 1.00 0.00 O ATOM 257 NE2 GLN A 19 4.967 -18.245 -13.752 1.00 0.00 N ATOM 0 H GLN A 19 5.544 -12.605 -11.433 1.00 0.00 H new ATOM 0 HA GLN A 19 6.811 -15.047 -12.510 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.938 -14.232 -12.617 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.640 -14.884 -14.084 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.586 -16.600 -12.051 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.929 -16.267 -11.589 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.852 -18.305 -13.248 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.729 -18.951 -14.449 1.00 0.00 H new ATOM 266 N GLU A 20 7.239 -13.917 -14.727 1.00 0.00 N ATOM 267 CA GLU A 20 7.770 -13.163 -15.851 1.00 0.00 C ATOM 268 C GLU A 20 6.685 -12.261 -16.444 1.00 0.00 C ATOM 269 O GLU A 20 5.727 -12.747 -17.043 1.00 0.00 O ATOM 270 CB GLU A 20 8.348 -14.099 -16.914 1.00 0.00 C ATOM 271 CG GLU A 20 7.232 -14.767 -17.722 1.00 0.00 C ATOM 272 CD GLU A 20 6.925 -13.974 -18.993 1.00 0.00 C ATOM 273 OE1 GLU A 20 7.851 -13.600 -19.729 1.00 0.00 O ATOM 274 OE2 GLU A 20 5.673 -13.749 -19.206 1.00 0.00 O ATOM 0 H GLU A 20 7.405 -14.922 -14.772 1.00 0.00 H new ATOM 0 HA GLU A 20 8.582 -12.532 -15.490 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.000 -13.537 -17.583 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.963 -14.862 -16.436 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.527 -15.783 -17.985 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.332 -14.844 -17.111 1.00 0.00 H new ATOM 282 N GLY A 21 6.873 -10.963 -16.257 1.00 0.00 N ATOM 283 CA GLY A 21 5.923 -9.988 -16.766 1.00 0.00 C ATOM 284 C GLY A 21 4.670 -9.935 -15.889 1.00 0.00 C ATOM 285 O GLY A 21 3.600 -9.543 -16.352 1.00 0.00 O ATOM 0 H GLY A 21 7.669 -10.564 -15.760 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.390 -9.003 -16.800 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.645 -10.245 -17.788 1.00 0.00 H new ATOM 289 N ILE A 22 4.844 -10.337 -14.638 1.00 0.00 N ATOM 290 CA ILE A 22 3.740 -10.340 -13.693 1.00 0.00 C ATOM 291 C ILE A 22 4.184 -9.660 -12.396 1.00 0.00 C ATOM 292 O ILE A 22 5.353 -9.734 -12.020 1.00 0.00 O ATOM 293 CB ILE A 22 3.212 -11.761 -13.492 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.176 -12.118 -14.561 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.661 -11.947 -12.076 1.00 0.00 C ATOM 296 CD1 ILE A 22 2.845 -12.748 -15.783 1.00 0.00 C ATOM 0 H ILE A 22 5.732 -10.663 -14.257 1.00 0.00 H new ATOM 0 HA ILE A 22 2.901 -9.765 -14.085 1.00 0.00 H new ATOM 0 HB ILE A 22 4.046 -12.454 -13.607 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.443 -12.810 -14.146 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.633 -11.221 -14.861 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.292 -12.966 -11.960 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.453 -11.763 -11.350 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.845 -11.244 -11.908 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.087 -12.992 -16.527 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.559 -12.044 -16.210 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.366 -13.657 -15.484 1.00 0.00 H new ATOM 308 N TYR A 23 3.227 -9.013 -11.748 1.00 0.00 N ATOM 309 CA TYR A 23 3.503 -8.320 -10.501 1.00 0.00 C ATOM 310 C TYR A 23 2.321 -8.433 -9.537 1.00 0.00 C ATOM 311 O TYR A 23 1.177 -8.570 -9.965 1.00 0.00 O ATOM 312 CB TYR A 23 3.703 -6.848 -10.871 1.00 0.00 C ATOM 313 CG TYR A 23 5.155 -6.479 -11.186 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.037 -6.215 -10.159 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.580 -6.408 -12.497 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.403 -5.866 -10.454 1.00 0.00 C ATOM 317 CE2 TYR A 23 6.945 -6.059 -12.793 1.00 0.00 C ATOM 318 CZ TYR A 23 7.789 -5.806 -11.757 1.00 0.00 C ATOM 319 OH TYR A 23 9.079 -5.477 -12.036 1.00 0.00 O ATOM 0 H TYR A 23 2.259 -8.954 -12.063 1.00 0.00 H new ATOM 0 HA TYR A 23 4.375 -8.750 -10.009 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.083 -6.614 -11.736 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.351 -6.226 -10.048 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.703 -6.270 -9.133 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.889 -6.614 -13.301 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.104 -5.657 -9.660 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.291 -5.999 -13.814 1.00 0.00 H new ATOM 0 HH TYR A 23 9.680 -6.129 -11.619 1.00 0.00 H new ATOM 329 N ARG A 24 2.639 -8.374 -8.252 1.00 0.00 N ATOM 330 CA ARG A 24 1.618 -8.469 -7.223 1.00 0.00 C ATOM 331 C ARG A 24 1.398 -7.106 -6.565 1.00 0.00 C ATOM 332 O ARG A 24 2.357 -6.431 -6.191 1.00 0.00 O ATOM 333 CB ARG A 24 2.010 -9.489 -6.151 1.00 0.00 C ATOM 334 CG ARG A 24 0.906 -10.528 -5.953 1.00 0.00 C ATOM 335 CD ARG A 24 1.496 -11.888 -5.567 1.00 0.00 C ATOM 336 NE ARG A 24 2.356 -11.744 -4.372 1.00 0.00 N ATOM 337 CZ ARG A 24 3.698 -11.609 -4.416 1.00 0.00 C ATOM 338 NH1 ARG A 24 4.346 -11.598 -5.601 1.00 0.00 N ATOM 339 NH2 ARG A 24 4.368 -11.488 -3.285 1.00 0.00 N ATOM 0 H ARG A 24 3.590 -8.262 -7.900 1.00 0.00 H new ATOM 0 HA ARG A 24 0.695 -8.798 -7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.936 -9.987 -6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.204 -8.976 -5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.220 -10.191 -5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.325 -10.626 -6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.694 -12.598 -5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.077 -12.291 -6.397 1.00 0.00 H new ATOM 0 HE ARG A 24 1.906 -11.747 -3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.821 -11.692 -6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.361 -11.496 -5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.871 -11.497 -2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.383 -11.385 -3.302 1.00 0.00 H new ATOM 352 N ASP A 25 0.130 -6.740 -6.442 1.00 0.00 N ATOM 353 CA ASP A 25 -0.228 -5.470 -5.836 1.00 0.00 C ATOM 354 C ASP A 25 -0.305 -5.638 -4.317 1.00 0.00 C ATOM 355 O ASP A 25 -0.084 -6.731 -3.798 1.00 0.00 O ATOM 356 CB ASP A 25 -1.595 -4.990 -6.329 1.00 0.00 C ATOM 357 CG ASP A 25 -1.846 -3.488 -6.175 1.00 0.00 C ATOM 358 OD1 ASP A 25 -1.047 -2.767 -5.561 1.00 0.00 O ATOM 359 OD2 ASP A 25 -2.931 -3.059 -6.725 1.00 0.00 O ATOM 0 H ASP A 25 -0.662 -7.302 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 25 0.532 -4.739 -6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.699 -5.255 -7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.371 -5.530 -5.787 1.00 0.00 H new ATOM 365 N GLU A 26 -0.620 -4.540 -3.647 1.00 0.00 N ATOM 366 CA GLU A 26 -0.730 -4.552 -2.198 1.00 0.00 C ATOM 367 C GLU A 26 -2.154 -4.920 -1.777 1.00 0.00 C ATOM 368 O GLU A 26 -2.585 -4.587 -0.674 1.00 0.00 O ATOM 369 CB GLU A 26 -0.313 -3.205 -1.606 1.00 0.00 C ATOM 370 CG GLU A 26 -1.440 -2.178 -1.731 1.00 0.00 C ATOM 371 CD GLU A 26 -0.945 -0.774 -1.379 1.00 0.00 C ATOM 372 OE1 GLU A 26 -1.229 0.186 -2.112 1.00 0.00 O ATOM 373 OE2 GLU A 26 -0.242 -0.699 -0.300 1.00 0.00 O ATOM 0 H GLU A 26 -0.803 -3.635 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.050 -5.309 -1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.047 -3.332 -0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.576 -2.838 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.832 -2.185 -2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.262 -2.453 -1.071 1.00 0.00 H new ATOM 381 N TYR A 27 -2.846 -5.601 -2.679 1.00 0.00 N ATOM 382 CA TYR A 27 -4.214 -6.018 -2.414 1.00 0.00 C ATOM 383 C TYR A 27 -4.559 -7.290 -3.191 1.00 0.00 C ATOM 384 O TYR A 27 -5.626 -7.382 -3.795 1.00 0.00 O ATOM 385 CB TYR A 27 -5.105 -4.877 -2.906 1.00 0.00 C ATOM 386 CG TYR A 27 -5.385 -3.806 -1.850 1.00 0.00 C ATOM 387 CD1 TYR A 27 -6.314 -4.042 -0.857 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.708 -2.604 -1.890 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.577 -3.035 0.137 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.972 -1.596 -0.895 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.893 -1.860 0.069 1.00 0.00 C ATOM 392 OH TYR A 27 -6.142 -0.909 1.008 1.00 0.00 O ATOM 0 H TYR A 27 -2.486 -5.874 -3.593 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.353 -6.229 -1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.633 -4.407 -3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.053 -5.292 -3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.844 -4.983 -0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.981 -2.419 -2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.301 -3.208 0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.449 -0.651 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.581 -0.124 0.836 1.00 0.00 H new ATOM 402 N GLN A 28 -3.636 -8.240 -3.150 1.00 0.00 N ATOM 403 CA GLN A 28 -3.829 -9.502 -3.842 1.00 0.00 C ATOM 404 C GLN A 28 -4.269 -9.254 -5.285 1.00 0.00 C ATOM 405 O GLN A 28 -5.088 -9.998 -5.824 1.00 0.00 O ATOM 406 CB GLN A 28 -4.838 -10.383 -3.103 1.00 0.00 C ATOM 407 CG GLN A 28 -6.254 -10.165 -3.642 1.00 0.00 C ATOM 408 CD GLN A 28 -7.275 -10.131 -2.504 1.00 0.00 C ATOM 409 OE1 GLN A 28 -6.944 -9.955 -1.343 1.00 0.00 O ATOM 410 NE2 GLN A 28 -8.533 -10.310 -2.900 1.00 0.00 N ATOM 0 H GLN A 28 -2.752 -8.160 -2.648 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.878 -10.034 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.560 -11.431 -3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.812 -10.157 -2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.295 -9.229 -4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.508 -10.963 -4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.741 -10.452 -3.888 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.289 -10.305 -2.215 1.00 0.00 H new ATOM 419 N ARG A 29 -3.710 -8.206 -5.870 1.00 0.00 N ATOM 420 CA ARG A 29 -4.036 -7.850 -7.240 1.00 0.00 C ATOM 421 C ARG A 29 -2.828 -8.078 -8.151 1.00 0.00 C ATOM 422 O ARG A 29 -1.851 -7.332 -8.090 1.00 0.00 O ATOM 423 CB ARG A 29 -4.472 -6.387 -7.339 1.00 0.00 C ATOM 424 CG ARG A 29 -5.991 -6.275 -7.484 1.00 0.00 C ATOM 425 CD ARG A 29 -6.366 -5.365 -8.654 1.00 0.00 C ATOM 426 NE ARG A 29 -7.353 -4.354 -8.215 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.280 -3.800 -9.024 1.00 0.00 C ATOM 428 NH1 ARG A 29 -8.355 -4.153 -10.324 1.00 0.00 N ATOM 429 NH2 ARG A 29 -9.114 -2.906 -8.523 1.00 0.00 N ATOM 0 H ARG A 29 -3.032 -7.591 -5.420 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.861 -8.486 -7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.147 -5.846 -6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.986 -5.916 -8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.419 -7.266 -7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.420 -5.882 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.475 -4.871 -9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.780 -5.959 -9.469 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.331 -4.057 -7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.708 -4.844 -10.703 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.059 -3.729 -10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.051 -2.645 -7.539 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.821 -2.477 -9.120 1.00 0.00 H new ATOM 442 N THR A 30 -2.933 -9.111 -8.973 1.00 0.00 N ATOM 443 CA THR A 30 -1.861 -9.447 -9.895 1.00 0.00 C ATOM 444 C THR A 30 -1.822 -8.450 -11.054 1.00 0.00 C ATOM 445 O THR A 30 -2.862 -7.960 -11.491 1.00 0.00 O ATOM 446 CB THR A 30 -2.061 -10.895 -10.345 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.456 -10.983 -10.622 1.00 0.00 O ATOM 448 CG2 THR A 30 -1.843 -11.897 -9.209 1.00 0.00 C ATOM 0 H THR A 30 -3.744 -9.727 -9.020 1.00 0.00 H new ATOM 0 HA THR A 30 -0.887 -9.373 -9.412 1.00 0.00 H new ATOM 0 HB THR A 30 -1.376 -11.119 -11.163 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.654 -10.513 -11.459 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.997 -12.909 -9.582 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.826 -11.801 -8.830 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.551 -11.695 -8.405 1.00 0.00 H new ATOM 456 N TRP A 31 -0.611 -8.178 -11.519 1.00 0.00 N ATOM 457 CA TRP A 31 -0.423 -7.249 -12.619 1.00 0.00 C ATOM 458 C TRP A 31 0.365 -7.969 -13.716 1.00 0.00 C ATOM 459 O TRP A 31 1.051 -8.954 -13.448 1.00 0.00 O ATOM 460 CB TRP A 31 0.256 -5.964 -12.142 1.00 0.00 C ATOM 461 CG TRP A 31 -0.657 -5.042 -11.332 1.00 0.00 C ATOM 462 CD1 TRP A 31 -1.061 -5.188 -10.063 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.268 -3.817 -11.791 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.884 -4.151 -9.672 1.00 0.00 N ATOM 465 CE2 TRP A 31 -2.014 -3.292 -10.756 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.193 -3.176 -13.040 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.741 -2.100 -10.863 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.926 -1.985 -13.131 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.682 -1.443 -12.098 1.00 0.00 C ATOM 0 H TRP A 31 0.250 -8.585 -11.153 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.384 -6.936 -13.028 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.122 -6.227 -11.534 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.629 -5.419 -13.009 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.778 -6.013 -9.426 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.317 -4.037 -8.756 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.616 -3.570 -13.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.316 -1.708 -10.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.902 -1.451 -14.069 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.221 -0.519 -12.247 1.00 0.00 H new ATOM 480 N VAL A 32 0.239 -7.450 -14.929 1.00 0.00 N ATOM 481 CA VAL A 32 0.930 -8.031 -16.067 1.00 0.00 C ATOM 482 C VAL A 32 1.856 -6.981 -16.686 1.00 0.00 C ATOM 483 O VAL A 32 1.403 -6.106 -17.422 1.00 0.00 O ATOM 484 CB VAL A 32 -0.085 -8.594 -17.064 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.435 -8.483 -18.498 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.444 -10.042 -16.721 1.00 0.00 C ATOM 0 H VAL A 32 -0.332 -6.633 -15.148 1.00 0.00 H new ATOM 0 HA VAL A 32 1.552 -8.868 -15.749 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.994 -7.997 -16.991 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.306 -8.890 -19.186 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.617 -7.436 -18.739 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.365 -9.044 -18.592 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.167 -10.419 -17.445 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.455 -10.657 -16.753 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.876 -10.083 -15.721 1.00 0.00 H new ATOM 496 N ALA A 33 3.135 -7.105 -16.365 1.00 0.00 N ATOM 497 CA ALA A 33 4.129 -6.179 -16.881 1.00 0.00 C ATOM 498 C ALA A 33 4.622 -6.672 -18.243 1.00 0.00 C ATOM 499 O ALA A 33 5.400 -7.622 -18.318 1.00 0.00 O ATOM 500 CB ALA A 33 5.265 -6.031 -15.867 1.00 0.00 C ATOM 0 H ALA A 33 3.506 -7.833 -15.754 1.00 0.00 H new ATOM 0 HA ALA A 33 3.693 -5.191 -17.027 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.010 -5.336 -16.254 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.866 -5.649 -14.927 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.729 -7.002 -15.696 1.00 0.00 H new ATOM 506 N VAL A 34 4.148 -6.005 -19.286 1.00 0.00 N ATOM 507 CA VAL A 34 4.531 -6.366 -20.640 1.00 0.00 C ATOM 508 C VAL A 34 5.754 -5.545 -21.055 1.00 0.00 C ATOM 509 O VAL A 34 5.634 -4.585 -21.814 1.00 0.00 O ATOM 510 CB VAL A 34 3.341 -6.184 -21.585 1.00 0.00 C ATOM 511 CG1 VAL A 34 3.768 -6.363 -23.043 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.204 -7.142 -21.224 1.00 0.00 C ATOM 0 H VAL A 34 3.503 -5.218 -19.220 1.00 0.00 H new ATOM 0 HA VAL A 34 4.813 -7.418 -20.691 1.00 0.00 H new ATOM 0 HB VAL A 34 2.971 -5.166 -21.467 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.904 -6.229 -23.694 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.529 -5.624 -23.293 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.175 -7.364 -23.183 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.371 -6.993 -21.910 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.557 -8.171 -21.300 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.873 -6.946 -20.204 1.00 0.00 H new ATOM 522 N VAL A 35 6.904 -5.954 -20.537 1.00 0.00 N ATOM 523 CA VAL A 35 8.148 -5.269 -20.845 1.00 0.00 C ATOM 524 C VAL A 35 8.233 -5.030 -22.354 1.00 0.00 C ATOM 525 O VAL A 35 8.488 -5.958 -23.119 1.00 0.00 O ATOM 526 CB VAL A 35 9.333 -6.066 -20.297 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.332 -7.495 -20.845 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.656 -5.363 -20.604 1.00 0.00 C ATOM 0 H VAL A 35 7.000 -6.750 -19.907 1.00 0.00 H new ATOM 0 HA VAL A 35 8.178 -4.293 -20.360 1.00 0.00 H new ATOM 0 HB VAL A 35 9.227 -6.122 -19.214 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.184 -8.041 -20.440 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.409 -7.996 -20.553 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.402 -7.468 -21.932 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.482 -5.951 -20.203 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.772 -5.262 -21.683 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.658 -4.375 -20.145 1.00 0.00 H new ATOM 538 N GLU A 36 8.017 -3.780 -22.736 1.00 0.00 N ATOM 539 CA GLU A 36 8.066 -3.407 -24.139 1.00 0.00 C ATOM 540 C GLU A 36 9.189 -2.396 -24.380 1.00 0.00 C ATOM 541 O GLU A 36 8.978 -1.189 -24.267 1.00 0.00 O ATOM 542 CB GLU A 36 6.720 -2.852 -24.608 1.00 0.00 C ATOM 543 CG GLU A 36 6.696 -2.682 -26.128 1.00 0.00 C ATOM 544 CD GLU A 36 5.780 -1.526 -26.536 1.00 0.00 C ATOM 545 OE1 GLU A 36 4.591 -1.523 -26.181 1.00 0.00 O ATOM 546 OE2 GLU A 36 6.343 -0.608 -27.245 1.00 0.00 O ATOM 0 H GLU A 36 7.808 -3.012 -22.098 1.00 0.00 H new ATOM 0 HA GLU A 36 8.276 -4.302 -24.725 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.919 -3.524 -24.301 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.532 -1.892 -24.128 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.706 -2.496 -26.493 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.353 -3.605 -26.595 1.00 0.00 H new ATOM 611 N PHE A 41 14.111 3.436 -25.020 1.00 0.00 N ATOM 612 CA PHE A 41 13.758 3.524 -23.613 1.00 0.00 C ATOM 613 C PHE A 41 13.275 2.173 -23.083 1.00 0.00 C ATOM 614 O PHE A 41 13.270 1.181 -23.811 1.00 0.00 O ATOM 615 CB PHE A 41 12.620 4.540 -23.500 1.00 0.00 C ATOM 616 CG PHE A 41 13.092 5.985 -23.320 1.00 0.00 C ATOM 617 CD1 PHE A 41 14.123 6.263 -22.478 1.00 0.00 C ATOM 618 CD2 PHE A 41 12.479 6.990 -24.000 1.00 0.00 C ATOM 619 CE1 PHE A 41 14.560 7.604 -22.311 1.00 0.00 C ATOM 620 CE2 PHE A 41 12.916 8.330 -23.833 1.00 0.00 C ATOM 621 CZ PHE A 41 13.948 8.609 -22.992 1.00 0.00 C ATOM 0 HA PHE A 41 14.629 3.822 -23.029 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.002 4.479 -24.396 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.986 4.268 -22.656 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.609 5.465 -21.937 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.659 6.769 -24.667 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.379 7.825 -21.643 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.429 9.128 -24.374 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.281 9.628 -22.865 1.00 0.00 H new ATOM 631 N LEU A 42 12.879 2.176 -21.818 1.00 0.00 N ATOM 632 CA LEU A 42 12.395 0.963 -21.183 1.00 0.00 C ATOM 633 C LEU A 42 10.980 1.202 -20.650 1.00 0.00 C ATOM 634 O LEU A 42 10.793 1.933 -19.680 1.00 0.00 O ATOM 635 CB LEU A 42 13.381 0.488 -20.113 1.00 0.00 C ATOM 636 CG LEU A 42 14.647 -0.200 -20.628 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.323 -1.573 -21.221 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.390 0.693 -21.624 1.00 0.00 C ATOM 0 H LEU A 42 12.884 3.000 -21.216 1.00 0.00 H new ATOM 0 HA LEU A 42 12.332 0.152 -21.909 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.677 1.348 -19.512 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.861 -0.202 -19.448 1.00 0.00 H new ATOM 0 HG LEU A 42 15.314 -0.364 -19.782 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.240 -2.040 -21.580 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.871 -2.203 -20.455 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.627 -1.456 -22.052 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.286 0.180 -21.974 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.741 0.910 -22.472 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.673 1.625 -21.136 1.00 0.00 H new ATOM 650 N ARG A 43 10.019 0.569 -21.310 1.00 0.00 N ATOM 651 CA ARG A 43 8.628 0.704 -20.915 1.00 0.00 C ATOM 652 C ARG A 43 8.062 -0.655 -20.494 1.00 0.00 C ATOM 653 O ARG A 43 8.099 -1.612 -21.264 1.00 0.00 O ATOM 654 CB ARG A 43 7.783 1.267 -22.060 1.00 0.00 C ATOM 655 CG ARG A 43 6.291 1.174 -21.737 1.00 0.00 C ATOM 656 CD ARG A 43 5.555 2.443 -22.176 1.00 0.00 C ATOM 657 NE ARG A 43 4.583 2.118 -23.244 1.00 0.00 N ATOM 658 CZ ARG A 43 4.125 3.012 -24.146 1.00 0.00 C ATOM 659 NH1 ARG A 43 4.548 4.294 -24.117 1.00 0.00 N ATOM 660 NH2 ARG A 43 3.258 2.614 -25.059 1.00 0.00 N ATOM 0 H ARG A 43 10.177 -0.038 -22.115 1.00 0.00 H new ATOM 0 HA ARG A 43 8.587 1.396 -20.074 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.056 2.307 -22.241 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.995 0.718 -22.977 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.860 0.307 -22.238 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.156 1.023 -20.666 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.038 2.887 -21.325 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.270 3.183 -22.536 1.00 0.00 H new ATOM 0 HE ARG A 43 4.238 1.160 -23.302 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.219 4.594 -23.410 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.197 4.963 -24.802 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.944 1.644 -25.076 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.902 3.277 -25.748 1.00 0.00 H new ATOM 673 N ALA A 44 7.553 -0.694 -19.272 1.00 0.00 N ATOM 674 CA ALA A 44 6.982 -1.919 -18.738 1.00 0.00 C ATOM 675 C ALA A 44 5.483 -1.718 -18.504 1.00 0.00 C ATOM 676 O ALA A 44 5.072 -1.261 -17.439 1.00 0.00 O ATOM 677 CB ALA A 44 7.723 -2.313 -17.459 1.00 0.00 C ATOM 0 H ALA A 44 7.524 0.103 -18.636 1.00 0.00 H new ATOM 0 HA ALA A 44 7.099 -2.738 -19.448 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.295 -3.232 -17.059 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.778 -2.472 -17.684 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.626 -1.516 -16.722 1.00 0.00 H new ATOM 683 N ARG A 45 4.706 -2.071 -19.519 1.00 0.00 N ATOM 684 CA ARG A 45 3.262 -1.934 -19.438 1.00 0.00 C ATOM 685 C ARG A 45 2.690 -2.928 -18.425 1.00 0.00 C ATOM 686 O ARG A 45 2.681 -4.134 -18.670 1.00 0.00 O ATOM 687 CB ARG A 45 2.609 -2.173 -20.801 1.00 0.00 C ATOM 688 CG ARG A 45 1.111 -1.861 -20.754 1.00 0.00 C ATOM 689 CD ARG A 45 0.290 -3.036 -21.287 1.00 0.00 C ATOM 690 NE ARG A 45 0.952 -3.621 -22.473 1.00 0.00 N ATOM 691 CZ ARG A 45 0.642 -4.826 -22.997 1.00 0.00 C ATOM 692 NH1 ARG A 45 -0.324 -5.587 -22.440 1.00 0.00 N ATOM 693 NH2 ARG A 45 1.299 -5.250 -24.060 1.00 0.00 N ATOM 0 H ARG A 45 5.050 -2.451 -20.401 1.00 0.00 H new ATOM 0 HA ARG A 45 3.043 -0.916 -19.116 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.091 -1.549 -21.553 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.759 -3.209 -21.103 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.814 -1.640 -19.729 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.903 -0.969 -21.345 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.179 -3.794 -20.512 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.713 -2.700 -21.549 1.00 0.00 H new ATOM 0 HE ARG A 45 1.690 -3.080 -22.924 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.826 -5.253 -21.617 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.552 -6.496 -22.842 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.029 -4.670 -24.473 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.077 -6.158 -24.468 1.00 0.00 H new ATOM 706 N VAL A 46 2.228 -2.387 -17.308 1.00 0.00 N ATOM 707 CA VAL A 46 1.655 -3.211 -16.258 1.00 0.00 C ATOM 708 C VAL A 46 0.133 -3.242 -16.412 1.00 0.00 C ATOM 709 O VAL A 46 -0.532 -2.222 -16.242 1.00 0.00 O ATOM 710 CB VAL A 46 2.107 -2.702 -14.887 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.210 -3.851 -13.881 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.434 -1.947 -14.994 1.00 0.00 C ATOM 0 H VAL A 46 2.239 -1.387 -17.107 1.00 0.00 H new ATOM 0 HA VAL A 46 2.011 -4.238 -16.342 1.00 0.00 H new ATOM 0 HB VAL A 46 1.352 -2.005 -14.523 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.533 -3.461 -12.916 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.236 -4.328 -13.772 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.935 -4.583 -14.238 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.733 -1.596 -14.007 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.201 -2.613 -15.390 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.314 -1.094 -15.662 1.00 0.00 H new ATOM 722 N GLN A 47 -0.373 -4.424 -16.732 1.00 0.00 N ATOM 723 CA GLN A 47 -1.804 -4.601 -16.909 1.00 0.00 C ATOM 724 C GLN A 47 -2.389 -5.400 -15.742 1.00 0.00 C ATOM 725 O GLN A 47 -1.889 -6.474 -15.409 1.00 0.00 O ATOM 726 CB GLN A 47 -2.112 -5.279 -18.245 1.00 0.00 C ATOM 727 CG GLN A 47 -3.529 -5.855 -18.255 1.00 0.00 C ATOM 728 CD GLN A 47 -4.210 -5.614 -19.605 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.675 -6.527 -20.267 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.242 -4.337 -19.973 1.00 0.00 N ATOM 0 H GLN A 47 0.182 -5.268 -16.873 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.272 -3.617 -16.922 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.003 -4.559 -19.056 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.391 -6.076 -18.427 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.492 -6.925 -18.048 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.117 -5.397 -17.460 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.834 -3.622 -19.371 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.675 -4.072 -20.858 1.00 0.00 H new ATOM 739 N GLN A 48 -3.439 -4.846 -15.154 1.00 0.00 N ATOM 740 CA GLN A 48 -4.096 -5.495 -14.032 1.00 0.00 C ATOM 741 C GLN A 48 -5.142 -6.493 -14.534 1.00 0.00 C ATOM 742 O GLN A 48 -6.043 -6.126 -15.287 1.00 0.00 O ATOM 743 CB GLN A 48 -4.729 -4.462 -13.096 1.00 0.00 C ATOM 744 CG GLN A 48 -5.028 -5.074 -11.726 1.00 0.00 C ATOM 745 CD GLN A 48 -5.893 -6.330 -11.864 1.00 0.00 C ATOM 746 OE1 GLN A 48 -7.041 -6.127 -12.504 1.00 0.00 O flip ATOM 747 NE2 GLN A 48 -5.540 -7.409 -11.419 1.00 0.00 N flip ATOM 0 H GLN A 48 -3.851 -3.956 -15.433 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.345 -6.042 -13.462 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.057 -3.612 -12.980 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.650 -4.082 -13.538 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.094 -5.325 -11.224 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.540 -4.342 -11.101 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.645 -7.494 -10.938 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.140 -8.227 -11.528 1.00 0.00 H new ATOM 756 N ILE A 49 -4.987 -7.733 -14.095 1.00 0.00 N ATOM 757 CA ILE A 49 -5.906 -8.787 -14.490 1.00 0.00 C ATOM 758 C ILE A 49 -5.868 -9.907 -13.450 1.00 0.00 C ATOM 759 O ILE A 49 -4.955 -9.965 -12.628 1.00 0.00 O ATOM 760 CB ILE A 49 -5.602 -9.257 -15.913 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.259 -9.986 -15.975 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.667 -8.091 -16.902 1.00 0.00 C ATOM 763 CD1 ILE A 49 -3.097 -8.991 -16.027 1.00 0.00 C ATOM 0 H ILE A 49 -4.239 -8.032 -13.470 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.929 -8.411 -14.516 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.370 -9.972 -16.207 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.151 -10.632 -15.103 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.231 -10.630 -16.854 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.447 -8.453 -17.906 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.666 -7.654 -16.884 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.935 -7.334 -16.621 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.154 -9.535 -16.071 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.195 -8.363 -16.913 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.114 -8.365 -15.135 1.00 0.00 H new ATOM 775 N GLN A 50 -6.870 -10.772 -13.521 1.00 0.00 N ATOM 776 CA GLN A 50 -6.962 -11.889 -12.595 1.00 0.00 C ATOM 777 C GLN A 50 -6.290 -13.128 -13.190 1.00 0.00 C ATOM 778 O GLN A 50 -6.781 -13.698 -14.164 1.00 0.00 O ATOM 779 CB GLN A 50 -8.419 -12.177 -12.228 1.00 0.00 C ATOM 780 CG GLN A 50 -8.922 -11.195 -11.169 1.00 0.00 C ATOM 781 CD GLN A 50 -9.763 -10.086 -11.806 1.00 0.00 C ATOM 782 OE1 GLN A 50 -10.820 -10.319 -12.369 1.00 0.00 O ATOM 783 NE2 GLN A 50 -9.235 -8.871 -11.687 1.00 0.00 N ATOM 0 H GLN A 50 -7.625 -10.722 -14.205 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.437 -11.621 -11.678 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.043 -12.107 -13.119 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.509 -13.197 -11.855 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.517 -11.728 -10.427 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.074 -10.757 -10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.346 -8.746 -11.203 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.719 -8.064 -12.080 1.00 0.00 H new ATOM 792 N VAL A 51 -5.177 -13.509 -12.580 1.00 0.00 N ATOM 793 CA VAL A 51 -4.434 -14.671 -13.037 1.00 0.00 C ATOM 794 C VAL A 51 -3.608 -15.231 -11.877 1.00 0.00 C ATOM 795 O VAL A 51 -3.014 -14.474 -11.110 1.00 0.00 O ATOM 796 CB VAL A 51 -3.582 -14.302 -14.253 1.00 0.00 C ATOM 797 CG1 VAL A 51 -2.587 -13.193 -13.910 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.861 -15.533 -14.810 1.00 0.00 C ATOM 0 H VAL A 51 -4.772 -13.034 -11.773 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.116 -15.457 -13.361 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.249 -13.924 -15.028 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.994 -12.950 -14.792 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.129 -12.306 -13.582 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.927 -13.531 -13.111 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.262 -15.244 -15.674 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.211 -15.953 -14.042 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.596 -16.280 -15.111 1.00 0.00 H new ATOM 998 N SER A 65 15.697 -8.791 -17.592 1.00 0.00 N ATOM 999 CA SER A 65 16.700 -8.072 -16.825 1.00 0.00 C ATOM 1000 C SER A 65 16.510 -6.564 -16.999 1.00 0.00 C ATOM 1001 O SER A 65 17.460 -5.847 -17.309 1.00 0.00 O ATOM 1002 CB SER A 65 18.112 -8.481 -17.247 1.00 0.00 C ATOM 1003 OG SER A 65 18.450 -7.981 -18.537 1.00 0.00 O ATOM 0 HA SER A 65 16.575 -8.328 -15.773 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.830 -8.111 -16.515 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.189 -9.568 -17.248 1.00 0.00 H new ATOM 0 HG SER A 65 18.452 -7.001 -18.518 1.00 0.00 H new ATOM 1009 N GLN A 66 15.277 -6.128 -16.789 1.00 0.00 N ATOM 1010 CA GLN A 66 14.950 -4.718 -16.919 1.00 0.00 C ATOM 1011 C GLN A 66 14.055 -4.272 -15.762 1.00 0.00 C ATOM 1012 O GLN A 66 14.392 -3.337 -15.035 1.00 0.00 O ATOM 1013 CB GLN A 66 14.287 -4.431 -18.268 1.00 0.00 C ATOM 1014 CG GLN A 66 15.216 -4.798 -19.426 1.00 0.00 C ATOM 1015 CD GLN A 66 14.427 -4.999 -20.721 1.00 0.00 C ATOM 1016 OE1 GLN A 66 13.217 -4.853 -20.769 1.00 0.00 O ATOM 1017 NE2 GLN A 66 15.176 -5.342 -21.764 1.00 0.00 N ATOM 0 H GLN A 66 14.492 -6.726 -16.530 1.00 0.00 H new ATOM 0 HA GLN A 66 15.876 -4.145 -16.878 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.359 -4.997 -18.349 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.023 -3.375 -18.330 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.957 -4.011 -19.566 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.762 -5.710 -19.184 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.185 -5.447 -21.655 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.742 -5.500 -22.674 1.00 0.00 H new ATOM 1026 N LEU A 67 12.931 -4.960 -15.625 1.00 0.00 N ATOM 1027 CA LEU A 67 11.984 -4.647 -14.568 1.00 0.00 C ATOM 1028 C LEU A 67 12.576 -5.065 -13.220 1.00 0.00 C ATOM 1029 O LEU A 67 13.212 -6.113 -13.114 1.00 0.00 O ATOM 1030 CB LEU A 67 10.623 -5.279 -14.863 1.00 0.00 C ATOM 1031 CG LEU A 67 9.898 -4.759 -16.106 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.782 -4.883 -17.348 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.551 -5.462 -16.289 1.00 0.00 C ATOM 0 H LEU A 67 12.655 -5.734 -16.229 1.00 0.00 H new ATOM 0 HA LEU A 67 11.807 -3.572 -14.521 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.760 -6.355 -14.970 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.977 -5.124 -13.999 1.00 0.00 H new ATOM 0 HG LEU A 67 9.691 -3.698 -15.962 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.243 -4.507 -18.217 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.693 -4.301 -17.206 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.041 -5.930 -17.507 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.056 -5.074 -17.179 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.712 -6.534 -16.402 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.924 -5.279 -15.417 1.00 0.00 H new ATOM 1045 N PRO A 68 12.341 -4.201 -12.197 1.00 0.00 N ATOM 1046 CA PRO A 68 12.844 -4.468 -10.860 1.00 0.00 C ATOM 1047 C PRO A 68 12.022 -5.560 -10.173 1.00 0.00 C ATOM 1048 O PRO A 68 10.946 -5.924 -10.648 1.00 0.00 O ATOM 1049 CB PRO A 68 12.777 -3.133 -10.139 1.00 0.00 C ATOM 1050 CG PRO A 68 11.812 -2.274 -10.940 1.00 0.00 C ATOM 1051 CD PRO A 68 11.593 -2.950 -12.284 1.00 0.00 C ATOM 0 HA PRO A 68 13.864 -4.852 -10.864 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.428 -3.260 -9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.761 -2.668 -10.086 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.866 -2.165 -10.409 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.217 -1.272 -11.078 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.534 -3.134 -12.467 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.955 -2.329 -13.103 1.00 0.00 H new ATOM 1059 N LEU A 69 12.558 -6.053 -9.066 1.00 0.00 N ATOM 1060 CA LEU A 69 11.887 -7.097 -8.310 1.00 0.00 C ATOM 1061 C LEU A 69 10.682 -6.498 -7.580 1.00 0.00 C ATOM 1062 O LEU A 69 9.760 -7.218 -7.203 1.00 0.00 O ATOM 1063 CB LEU A 69 12.875 -7.807 -7.383 1.00 0.00 C ATOM 1064 CG LEU A 69 12.725 -9.327 -7.280 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.412 -9.701 -6.589 1.00 0.00 C ATOM 1066 CD2 LEU A 69 12.859 -9.986 -8.655 1.00 0.00 C ATOM 0 H LEU A 69 13.449 -5.749 -8.674 1.00 0.00 H new ATOM 0 HA LEU A 69 11.505 -7.867 -8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.886 -7.584 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.774 -7.383 -6.384 1.00 0.00 H new ATOM 0 HG LEU A 69 13.536 -9.710 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.329 -10.786 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.397 -9.279 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.574 -9.305 -7.162 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.748 -11.066 -8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.084 -9.603 -9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.840 -9.759 -9.073 1.00 0.00 H new ATOM 1078 N MET A 70 10.730 -5.186 -7.405 1.00 0.00 N ATOM 1079 CA MET A 70 9.654 -4.481 -6.728 1.00 0.00 C ATOM 1080 C MET A 70 9.667 -2.993 -7.080 1.00 0.00 C ATOM 1081 O MET A 70 10.731 -2.396 -7.232 1.00 0.00 O ATOM 1082 CB MET A 70 9.806 -4.650 -5.215 1.00 0.00 C ATOM 1083 CG MET A 70 8.734 -3.857 -4.465 1.00 0.00 C ATOM 1084 SD MET A 70 9.374 -3.298 -2.895 1.00 0.00 S ATOM 1085 CE MET A 70 10.044 -1.716 -3.378 1.00 0.00 C ATOM 0 H MET A 70 11.497 -4.592 -7.720 1.00 0.00 H new ATOM 0 HA MET A 70 8.704 -4.904 -7.056 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.732 -5.706 -4.954 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.796 -4.314 -4.905 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.417 -3.002 -5.063 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.853 -4.480 -4.307 1.00 0.00 H new ATOM 0 HE1 MET A 70 10.594 -1.283 -2.542 1.00 0.00 H new ATOM 0 HE2 MET A 70 10.717 -1.849 -4.225 1.00 0.00 H new ATOM 0 HE3 MET A 70 9.231 -1.048 -3.662 1.00 0.00 H new ATOM 1095 N TRP A 71 8.471 -2.435 -7.199 1.00 0.00 N ATOM 1096 CA TRP A 71 8.330 -1.028 -7.531 1.00 0.00 C ATOM 1097 C TRP A 71 7.857 -0.291 -6.277 1.00 0.00 C ATOM 1098 O TRP A 71 7.307 -0.905 -5.363 1.00 0.00 O ATOM 1099 CB TRP A 71 7.394 -0.836 -8.726 1.00 0.00 C ATOM 1100 CG TRP A 71 8.104 -0.847 -10.080 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.210 -0.179 -10.438 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.710 -1.593 -11.252 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.555 -0.439 -11.749 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.614 -1.325 -12.259 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.625 -2.464 -11.454 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.526 -1.889 -13.538 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.551 -3.018 -12.737 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.453 -2.760 -13.761 1.00 0.00 C ATOM 0 H TRP A 71 7.590 -2.933 -7.071 1.00 0.00 H new ATOM 0 HA TRP A 71 9.287 -0.608 -7.842 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.642 -1.625 -8.715 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.865 0.110 -8.612 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.761 0.479 -9.783 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.354 -0.052 -12.251 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.906 -2.688 -10.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.247 -1.664 -14.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.735 -3.694 -12.946 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.327 -3.229 -14.725 1.00 0.00 H new ATOM 1119 N GLN A 72 8.088 1.014 -6.272 1.00 0.00 N ATOM 1120 CA GLN A 72 7.691 1.840 -5.145 1.00 0.00 C ATOM 1121 C GLN A 72 7.090 3.157 -5.639 1.00 0.00 C ATOM 1122 O GLN A 72 7.818 4.074 -6.016 1.00 0.00 O ATOM 1123 CB GLN A 72 8.873 2.095 -4.208 1.00 0.00 C ATOM 1124 CG GLN A 72 8.393 2.366 -2.781 1.00 0.00 C ATOM 1125 CD GLN A 72 8.202 1.058 -2.009 1.00 0.00 C ATOM 1126 OE1 GLN A 72 7.022 0.478 -2.212 1.00 0.00 O flip ATOM 1127 NE2 GLN A 72 9.069 0.606 -1.278 1.00 0.00 N flip ATOM 0 H GLN A 72 8.545 1.519 -7.031 1.00 0.00 H new ATOM 0 HA GLN A 72 6.929 1.305 -4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.539 1.232 -4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.451 2.946 -4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.117 2.996 -2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.453 2.917 -2.808 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.953 1.103 -1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.910 -0.269 -0.778 1.00 0.00 H new ATOM 1136 N LEU A 73 5.766 3.211 -5.619 1.00 0.00 N ATOM 1137 CA LEU A 73 5.059 4.401 -6.061 1.00 0.00 C ATOM 1138 C LEU A 73 5.712 5.638 -5.440 1.00 0.00 C ATOM 1139 O LEU A 73 5.792 5.754 -4.218 1.00 0.00 O ATOM 1140 CB LEU A 73 3.564 4.278 -5.759 1.00 0.00 C ATOM 1141 CG LEU A 73 2.776 5.590 -5.727 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.395 6.623 -6.670 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.297 5.348 -6.032 1.00 0.00 C ATOM 0 H LEU A 73 5.165 2.450 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 73 5.135 4.510 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.115 3.626 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.448 3.784 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 73 2.833 6.000 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.817 7.546 -6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.422 6.824 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.388 6.236 -7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.760 6.296 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.198 4.905 -7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.878 4.671 -5.288 1.00 0.00 H new ATOM 1155 N TYR A 74 6.162 6.529 -6.310 1.00 0.00 N ATOM 1156 CA TYR A 74 6.807 7.752 -5.862 1.00 0.00 C ATOM 1157 C TYR A 74 6.051 8.985 -6.365 1.00 0.00 C ATOM 1158 O TYR A 74 5.120 8.865 -7.159 1.00 0.00 O ATOM 1159 CB TYR A 74 8.207 7.741 -6.478 1.00 0.00 C ATOM 1160 CG TYR A 74 9.339 7.800 -5.450 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.320 6.960 -4.355 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.378 8.692 -5.618 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.386 7.015 -3.388 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.443 8.746 -4.651 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.395 7.906 -3.583 1.00 0.00 C ATOM 1166 OH TYR A 74 12.401 7.958 -2.669 1.00 0.00 O ATOM 0 H TYR A 74 6.093 6.429 -7.323 1.00 0.00 H new ATOM 0 HA TYR A 74 6.830 7.798 -4.773 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.322 6.838 -7.078 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.301 8.589 -7.156 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.506 6.262 -4.223 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.392 9.350 -6.475 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.384 6.363 -2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.263 9.439 -4.771 1.00 0.00 H new ATOM 0 HH TYR A 74 13.218 7.584 -3.060 1.00 0.00 H new ATOM 1176 N PRO A 75 6.493 10.171 -5.867 1.00 0.00 N ATOM 1177 CA PRO A 75 5.869 11.424 -6.256 1.00 0.00 C ATOM 1178 C PRO A 75 6.283 11.825 -7.674 1.00 0.00 C ATOM 1179 O PRO A 75 7.055 11.122 -8.321 1.00 0.00 O ATOM 1180 CB PRO A 75 6.310 12.428 -5.202 1.00 0.00 C ATOM 1181 CG PRO A 75 7.529 11.817 -4.530 1.00 0.00 C ATOM 1182 CD PRO A 75 7.593 10.350 -4.924 1.00 0.00 C ATOM 0 HA PRO A 75 4.782 11.359 -6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.554 13.389 -5.655 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.515 12.610 -4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.436 12.335 -4.841 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.459 11.919 -3.447 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.551 10.104 -5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.479 9.701 -4.055 1.00 0.00 H new ATOM 1190 N GLU A 76 5.749 12.956 -8.113 1.00 0.00 N ATOM 1191 CA GLU A 76 6.055 13.461 -9.442 1.00 0.00 C ATOM 1192 C GLU A 76 5.487 12.523 -10.509 1.00 0.00 C ATOM 1193 O GLU A 76 5.878 12.592 -11.673 1.00 0.00 O ATOM 1194 CB GLU A 76 7.562 13.649 -9.624 1.00 0.00 C ATOM 1195 CG GLU A 76 8.050 14.900 -8.890 1.00 0.00 C ATOM 1196 CD GLU A 76 8.635 15.918 -9.871 1.00 0.00 C ATOM 1197 OE1 GLU A 76 8.320 15.876 -11.070 1.00 0.00 O ATOM 1198 OE2 GLU A 76 9.445 16.775 -9.349 1.00 0.00 O ATOM 0 H GLU A 76 5.107 13.536 -7.573 1.00 0.00 H new ATOM 0 HA GLU A 76 5.584 14.438 -9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.090 12.773 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.797 13.731 -10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.222 15.351 -8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.805 14.623 -8.154 1.00 0.00 H new ATOM 1206 N GLU A 77 4.574 11.667 -10.074 1.00 0.00 N ATOM 1207 CA GLU A 77 3.949 10.716 -10.978 1.00 0.00 C ATOM 1208 C GLU A 77 4.994 9.753 -11.543 1.00 0.00 C ATOM 1209 O GLU A 77 5.119 9.611 -12.758 1.00 0.00 O ATOM 1210 CB GLU A 77 3.203 11.438 -12.102 1.00 0.00 C ATOM 1211 CG GLU A 77 2.207 10.501 -12.789 1.00 0.00 C ATOM 1212 CD GLU A 77 1.231 11.288 -13.668 1.00 0.00 C ATOM 1213 OE1 GLU A 77 1.441 11.393 -14.885 1.00 0.00 O ATOM 1214 OE2 GLU A 77 0.226 11.799 -13.043 1.00 0.00 O ATOM 0 H GLU A 77 4.252 11.612 -9.108 1.00 0.00 H new ATOM 0 HA GLU A 77 3.218 10.136 -10.415 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.676 12.302 -11.697 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.917 11.815 -12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.746 9.775 -13.398 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.653 9.939 -12.037 1.00 0.00 H new ATOM 1222 N ARG A 78 5.720 9.118 -10.634 1.00 0.00 N ATOM 1223 CA ARG A 78 6.751 8.173 -11.026 1.00 0.00 C ATOM 1224 C ARG A 78 6.880 7.064 -9.981 1.00 0.00 C ATOM 1225 O ARG A 78 6.443 7.224 -8.843 1.00 0.00 O ATOM 1226 CB ARG A 78 8.104 8.870 -11.190 1.00 0.00 C ATOM 1227 CG ARG A 78 7.941 10.225 -11.882 1.00 0.00 C ATOM 1228 CD ARG A 78 9.294 10.767 -12.349 1.00 0.00 C ATOM 1229 NE ARG A 78 9.802 11.763 -11.379 1.00 0.00 N ATOM 1230 CZ ARG A 78 11.096 12.131 -11.281 1.00 0.00 C ATOM 1231 NH1 ARG A 78 12.028 11.588 -12.094 1.00 0.00 N ATOM 1232 NH2 ARG A 78 11.439 13.031 -10.377 1.00 0.00 N ATOM 0 H ARG A 78 5.614 9.240 -9.627 1.00 0.00 H new ATOM 0 HA ARG A 78 6.459 7.742 -11.984 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.566 9.010 -10.213 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.775 8.238 -11.772 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.271 10.123 -12.736 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.478 10.934 -11.196 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.007 9.949 -12.450 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.192 11.225 -13.333 1.00 0.00 H new ATOM 0 HE ARG A 78 9.132 12.198 -10.745 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.756 10.893 -12.790 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.004 11.873 -12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.730 13.436 -9.766 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.413 13.320 -10.290 1.00 0.00 H new ATOM 1245 N TYR A 79 7.483 5.962 -10.405 1.00 0.00 N ATOM 1246 CA TYR A 79 7.675 4.826 -9.520 1.00 0.00 C ATOM 1247 C TYR A 79 9.162 4.589 -9.246 1.00 0.00 C ATOM 1248 O TYR A 79 9.976 4.602 -10.168 1.00 0.00 O ATOM 1249 CB TYR A 79 7.105 3.614 -10.260 1.00 0.00 C ATOM 1250 CG TYR A 79 5.655 3.288 -9.896 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.810 4.289 -9.465 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.193 1.991 -9.998 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.446 3.982 -9.122 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.829 1.684 -9.655 1.00 0.00 C ATOM 1255 CZ TYR A 79 3.023 2.694 -9.234 1.00 0.00 C ATOM 1256 OH TYR A 79 1.734 2.404 -8.910 1.00 0.00 O ATOM 0 H TYR A 79 7.845 5.832 -11.350 1.00 0.00 H new ATOM 0 HA TYR A 79 7.185 4.999 -8.562 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.168 3.794 -11.333 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.727 2.745 -10.046 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.172 5.303 -9.385 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.855 1.207 -10.335 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.774 4.757 -8.783 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.455 0.674 -9.731 1.00 0.00 H new ATOM 0 HH TYR A 79 1.716 1.657 -8.276 1.00 0.00 H new ATOM 1266 N MET A 80 9.469 4.379 -7.975 1.00 0.00 N ATOM 1267 CA MET A 80 10.844 4.139 -7.568 1.00 0.00 C ATOM 1268 C MET A 80 11.073 2.659 -7.251 1.00 0.00 C ATOM 1269 O MET A 80 10.387 2.089 -6.404 1.00 0.00 O ATOM 1270 CB MET A 80 11.165 4.981 -6.331 1.00 0.00 C ATOM 1271 CG MET A 80 12.661 4.941 -6.013 1.00 0.00 C ATOM 1272 SD MET A 80 13.226 6.563 -5.529 1.00 0.00 S ATOM 1273 CE MET A 80 14.703 6.686 -6.524 1.00 0.00 C ATOM 0 H MET A 80 8.790 4.370 -7.213 1.00 0.00 H new ATOM 0 HA MET A 80 11.500 4.421 -8.391 1.00 0.00 H new ATOM 0 HB2 MET A 80 10.853 6.012 -6.497 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.598 4.610 -5.477 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.852 4.227 -5.212 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.218 4.598 -6.885 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.946 7.736 -6.686 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.530 6.197 -6.009 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.536 6.200 -7.485 1.00 0.00 H new ATOM 1283 N ASP A 81 12.038 2.080 -7.949 1.00 0.00 N ATOM 1284 CA ASP A 81 12.366 0.678 -7.754 1.00 0.00 C ATOM 1285 C ASP A 81 13.540 0.564 -6.780 1.00 0.00 C ATOM 1286 O ASP A 81 14.075 1.574 -6.325 1.00 0.00 O ATOM 1287 CB ASP A 81 12.777 0.019 -9.072 1.00 0.00 C ATOM 1288 CG ASP A 81 14.051 0.584 -9.706 1.00 0.00 C ATOM 1289 OD1 ASP A 81 14.106 0.827 -10.921 1.00 0.00 O ATOM 1290 OD2 ASP A 81 15.029 0.775 -8.887 1.00 0.00 O ATOM 0 H ASP A 81 12.604 2.556 -8.651 1.00 0.00 H new ATOM 0 HA ASP A 81 11.481 0.176 -7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.917 -1.048 -8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.958 0.122 -9.784 1.00 0.00 H new ATOM 1296 N ASN A 82 13.907 -0.676 -6.489 1.00 0.00 N ATOM 1297 CA ASN A 82 15.009 -0.935 -5.578 1.00 0.00 C ATOM 1298 C ASN A 82 16.265 -1.269 -6.387 1.00 0.00 C ATOM 1299 O ASN A 82 17.313 -1.566 -5.817 1.00 0.00 O ATOM 1300 CB ASN A 82 14.703 -2.126 -4.668 1.00 0.00 C ATOM 1301 CG ASN A 82 14.800 -1.729 -3.194 1.00 0.00 C ATOM 1302 OD1 ASN A 82 13.810 -1.613 -2.490 1.00 0.00 O ATOM 1303 ND2 ASN A 82 16.043 -1.528 -2.768 1.00 0.00 N ATOM 0 H ASN A 82 13.461 -1.511 -6.868 1.00 0.00 H new ATOM 0 HA ASN A 82 15.159 -0.044 -4.968 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.703 -2.504 -4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.401 -2.937 -4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 82 16.213 -1.259 -1.799 1.00 0.00 H new ATOM 0 HD22 ASN A 82 16.827 -1.642 -3.410 1.00 0.00 H new ATOM 1310 N ASN A 83 16.117 -1.206 -7.702 1.00 0.00 N ATOM 1311 CA ASN A 83 17.226 -1.499 -8.594 1.00 0.00 C ATOM 1312 C ASN A 83 18.137 -0.274 -8.687 1.00 0.00 C ATOM 1313 O ASN A 83 19.171 -0.313 -9.352 1.00 0.00 O ATOM 1314 CB ASN A 83 16.728 -1.825 -10.003 1.00 0.00 C ATOM 1315 CG ASN A 83 17.704 -2.753 -10.730 1.00 0.00 C ATOM 1316 OD1 ASN A 83 18.817 -2.990 -10.292 1.00 0.00 O ATOM 1317 ND2 ASN A 83 17.225 -3.264 -11.860 1.00 0.00 N ATOM 0 H ASN A 83 15.246 -0.956 -8.171 1.00 0.00 H new ATOM 0 HA ASN A 83 17.763 -2.359 -8.193 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.747 -2.297 -9.946 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.606 -0.903 -10.571 1.00 0.00 H new ATOM 0 HD21 ASN A 83 17.799 -3.896 -12.417 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.283 -3.024 -12.169 1.00 0.00 H new ATOM 1324 N SER A 84 17.721 0.786 -8.009 1.00 0.00 N ATOM 1325 CA SER A 84 18.488 2.021 -8.006 1.00 0.00 C ATOM 1326 C SER A 84 18.126 2.865 -9.229 1.00 0.00 C ATOM 1327 O SER A 84 18.996 3.480 -9.842 1.00 0.00 O ATOM 1328 CB SER A 84 19.991 1.735 -7.983 1.00 0.00 C ATOM 1329 OG SER A 84 20.696 2.651 -7.149 1.00 0.00 O ATOM 0 H SER A 84 16.863 0.815 -7.458 1.00 0.00 H new ATOM 0 HA SER A 84 18.238 2.577 -7.103 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.161 0.718 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.386 1.790 -8.997 1.00 0.00 H new ATOM 0 HG SER A 84 21.652 2.434 -7.160 1.00 0.00 H new ATOM 1335 N ARG A 85 16.840 2.867 -9.547 1.00 0.00 N ATOM 1336 CA ARG A 85 16.353 3.626 -10.687 1.00 0.00 C ATOM 1337 C ARG A 85 14.927 4.117 -10.426 1.00 0.00 C ATOM 1338 O ARG A 85 14.220 3.564 -9.585 1.00 0.00 O ATOM 1339 CB ARG A 85 16.368 2.779 -11.960 1.00 0.00 C ATOM 1340 CG ARG A 85 17.799 2.400 -12.348 1.00 0.00 C ATOM 1341 CD ARG A 85 17.805 1.382 -13.491 1.00 0.00 C ATOM 1342 NE ARG A 85 19.145 0.765 -13.611 1.00 0.00 N ATOM 1343 CZ ARG A 85 19.634 0.233 -14.752 1.00 0.00 C ATOM 1344 NH1 ARG A 85 18.896 0.240 -15.882 1.00 0.00 N ATOM 1345 NH2 ARG A 85 20.845 -0.293 -14.744 1.00 0.00 N ATOM 0 H ARG A 85 16.121 2.356 -9.036 1.00 0.00 H new ATOM 0 HA ARG A 85 17.016 4.480 -10.825 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.777 1.876 -11.807 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.900 3.332 -12.775 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.347 3.293 -12.649 1.00 0.00 H new ATOM 0 HG3 ARG A 85 18.316 1.985 -11.483 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.056 0.612 -13.307 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.536 1.872 -14.427 1.00 0.00 H new ATOM 0 HE ARG A 85 19.736 0.740 -12.780 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.962 0.649 -15.878 1.00 0.00 H new ATOM 0 HH12 ARG A 85 19.273 -0.164 -16.740 1.00 0.00 H new ATOM 0 HH21 ARG A 85 21.395 -0.293 -13.885 1.00 0.00 H new ATOM 0 HH22 ARG A 85 21.230 -0.699 -15.597 1.00 0.00 H new ATOM 1358 N LEU A 86 14.547 5.149 -11.164 1.00 0.00 N ATOM 1359 CA LEU A 86 13.218 5.721 -11.023 1.00 0.00 C ATOM 1360 C LEU A 86 12.477 5.611 -12.358 1.00 0.00 C ATOM 1361 O LEU A 86 12.918 6.164 -13.364 1.00 0.00 O ATOM 1362 CB LEU A 86 13.304 7.150 -10.483 1.00 0.00 C ATOM 1363 CG LEU A 86 12.053 7.676 -9.777 1.00 0.00 C ATOM 1364 CD1 LEU A 86 10.874 7.768 -10.747 1.00 0.00 C ATOM 1365 CD2 LEU A 86 11.719 6.829 -8.548 1.00 0.00 C ATOM 0 H LEU A 86 15.136 5.604 -11.862 1.00 0.00 H new ATOM 0 HA LEU A 86 12.638 5.162 -10.288 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.140 7.204 -9.786 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.537 7.818 -11.313 1.00 0.00 H new ATOM 0 HG LEU A 86 12.260 8.686 -9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.998 8.145 -10.220 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.126 8.446 -11.563 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.657 6.779 -11.151 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.826 7.225 -8.065 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.540 5.798 -8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.554 6.859 -7.848 1.00 0.00 H new ATOM 1377 N TRP A 87 11.363 4.894 -12.322 1.00 0.00 N ATOM 1378 CA TRP A 87 10.556 4.707 -13.515 1.00 0.00 C ATOM 1379 C TRP A 87 9.494 5.808 -13.547 1.00 0.00 C ATOM 1380 O TRP A 87 8.918 6.148 -12.515 1.00 0.00 O ATOM 1381 CB TRP A 87 9.959 3.299 -13.557 1.00 0.00 C ATOM 1382 CG TRP A 87 11.002 2.180 -13.569 1.00 0.00 C ATOM 1383 CD1 TRP A 87 12.066 2.036 -12.766 1.00 0.00 C ATOM 1384 CD2 TRP A 87 11.038 1.047 -14.462 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.783 0.898 -13.077 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.138 0.277 -14.139 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.170 0.683 -15.506 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.471 -0.903 -14.814 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.517 -0.499 -16.171 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.620 -1.285 -15.860 1.00 0.00 C ATOM 0 H TRP A 87 11.001 4.436 -11.486 1.00 0.00 H new ATOM 0 HA TRP A 87 11.170 4.791 -14.412 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.308 3.166 -12.693 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.333 3.207 -14.445 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.329 2.723 -11.976 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.631 0.573 -12.612 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.303 1.269 -15.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.338 -1.488 -14.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.883 -0.823 -16.983 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.820 -2.186 -16.421 1.00 0.00 H new ATOM 1401 N GLN A 88 9.268 6.334 -14.741 1.00 0.00 N ATOM 1402 CA GLN A 88 8.285 7.390 -14.921 1.00 0.00 C ATOM 1403 C GLN A 88 6.947 6.799 -15.368 1.00 0.00 C ATOM 1404 O GLN A 88 6.891 6.043 -16.337 1.00 0.00 O ATOM 1405 CB GLN A 88 8.782 8.438 -15.918 1.00 0.00 C ATOM 1406 CG GLN A 88 7.624 9.289 -16.441 1.00 0.00 C ATOM 1407 CD GLN A 88 8.034 10.758 -16.565 1.00 0.00 C ATOM 1408 OE1 GLN A 88 9.196 11.115 -16.459 1.00 0.00 O ATOM 1409 NE2 GLN A 88 7.018 11.585 -16.793 1.00 0.00 N ATOM 0 H GLN A 88 9.749 6.049 -15.594 1.00 0.00 H new ATOM 0 HA GLN A 88 8.138 7.889 -13.963 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.522 9.079 -15.439 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.281 7.944 -16.752 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.303 8.914 -17.413 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.771 9.202 -15.768 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.069 11.218 -16.871 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.187 12.586 -16.890 1.00 0.00 H new ATOM 1418 N ILE A 89 5.902 7.164 -14.640 1.00 0.00 N ATOM 1419 CA ILE A 89 4.567 6.679 -14.950 1.00 0.00 C ATOM 1420 C ILE A 89 4.103 7.287 -16.275 1.00 0.00 C ATOM 1421 O ILE A 89 3.549 8.386 -16.297 1.00 0.00 O ATOM 1422 CB ILE A 89 3.615 6.948 -13.783 1.00 0.00 C ATOM 1423 CG1 ILE A 89 4.114 6.275 -12.502 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.187 6.527 -14.133 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.710 4.800 -12.464 1.00 0.00 C ATOM 0 H ILE A 89 5.952 7.790 -13.836 1.00 0.00 H new ATOM 0 HA ILE A 89 4.576 5.597 -15.081 1.00 0.00 H new ATOM 0 HB ILE A 89 3.597 8.022 -13.596 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.199 6.360 -12.441 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.705 6.790 -11.633 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.530 6.729 -13.287 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.844 7.090 -15.001 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.167 5.461 -14.361 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.077 4.346 -11.544 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.624 4.719 -12.500 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.141 4.282 -13.321 1.00 0.00 H new ATOM 1437 N GLN A 90 4.345 6.546 -17.346 1.00 0.00 N ATOM 1438 CA GLN A 90 3.960 6.999 -18.672 1.00 0.00 C ATOM 1439 C GLN A 90 2.465 7.324 -18.708 1.00 0.00 C ATOM 1440 O GLN A 90 2.065 8.362 -19.234 1.00 0.00 O ATOM 1441 CB GLN A 90 4.320 5.958 -19.734 1.00 0.00 C ATOM 1442 CG GLN A 90 5.643 6.307 -20.418 1.00 0.00 C ATOM 1443 CD GLN A 90 5.449 7.421 -21.449 1.00 0.00 C ATOM 1444 OE1 GLN A 90 5.956 8.523 -21.313 1.00 0.00 O ATOM 1445 NE2 GLN A 90 4.691 7.074 -22.484 1.00 0.00 N ATOM 0 H GLN A 90 4.803 5.635 -17.323 1.00 0.00 H new ATOM 0 HA GLN A 90 4.516 7.909 -18.899 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.394 4.973 -19.273 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.525 5.903 -20.478 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.371 6.621 -19.670 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.049 5.421 -20.906 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.298 6.134 -22.536 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.503 7.747 -23.227 1.00 0.00 H new ATOM 1454 N HIS A 91 1.681 6.419 -18.140 1.00 0.00 N ATOM 1455 CA HIS A 91 0.239 6.597 -18.100 1.00 0.00 C ATOM 1456 C HIS A 91 -0.387 5.512 -17.223 1.00 0.00 C ATOM 1457 O HIS A 91 0.108 4.387 -17.173 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.344 6.627 -19.515 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.952 5.317 -19.956 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -1.823 4.480 -19.322 1.00 0.00 N flip ATOM 1461 CD2 HIS A 91 -0.675 4.738 -21.182 1.00 0.00 C flip ATOM 1462 CE1 HIS A 91 -2.066 3.447 -20.119 1.00 0.00 C flip ATOM 1463 NE2 HIS A 91 -1.354 3.604 -21.272 1.00 0.00 N flip ATOM 0 H HIS A 91 2.017 5.560 -17.704 1.00 0.00 H new ATOM 0 HA HIS A 91 -0.000 7.561 -17.651 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.106 7.405 -19.567 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.443 6.905 -20.216 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.017 5.142 -21.937 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.720 2.618 -19.892 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.346 2.961 -22.064 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.467 5.887 -16.554 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.168 4.959 -15.681 1.00 0.00 C ATOM 1473 C HIS A 92 -3.673 5.221 -15.756 1.00 0.00 C ATOM 1474 O HIS A 92 -4.152 6.248 -15.279 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.621 5.039 -14.254 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.350 4.157 -13.268 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.511 2.803 -13.235 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -3.013 4.658 -12.162 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.233 2.493 -12.164 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.546 3.642 -11.499 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.875 6.821 -16.598 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.997 3.936 -16.017 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.567 4.762 -14.264 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.676 6.072 -13.912 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.084 5.700 -11.886 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.524 1.496 -11.869 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.094 3.708 -10.641 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.376 4.274 -16.359 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.818 4.389 -16.502 1.00 0.00 C ATOM 1490 C LEU A 93 -6.436 2.990 -16.533 1.00 0.00 C ATOM 1491 O LEU A 93 -5.745 1.997 -16.313 1.00 0.00 O ATOM 1492 CB LEU A 93 -6.168 5.243 -17.722 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.270 5.062 -18.948 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -5.464 3.678 -19.570 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -5.495 6.185 -19.963 1.00 0.00 C ATOM 0 H LEU A 93 -3.974 3.424 -16.754 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.246 4.908 -15.644 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.195 5.022 -18.013 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.139 6.292 -17.427 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.231 5.126 -18.624 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.814 3.575 -20.439 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.213 2.911 -18.837 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.503 3.560 -19.878 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.845 6.033 -20.824 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.535 6.179 -20.288 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.265 7.145 -19.500 1.00 0.00 H new ATOM 1507 N MET A 94 -7.732 2.956 -16.806 1.00 0.00 N ATOM 1508 CA MET A 94 -8.451 1.695 -16.868 1.00 0.00 C ATOM 1509 C MET A 94 -8.992 1.440 -18.276 1.00 0.00 C ATOM 1510 O MET A 94 -9.687 2.284 -18.840 1.00 0.00 O ATOM 1511 CB MET A 94 -9.613 1.721 -15.872 1.00 0.00 C ATOM 1512 CG MET A 94 -10.699 0.721 -16.272 1.00 0.00 C ATOM 1513 SD MET A 94 -11.483 0.054 -14.813 1.00 0.00 S ATOM 1514 CE MET A 94 -10.309 -1.221 -14.386 1.00 0.00 C ATOM 0 H MET A 94 -8.303 3.782 -16.987 1.00 0.00 H new ATOM 0 HA MET A 94 -7.760 0.891 -16.614 1.00 0.00 H new ATOM 0 HB2 MET A 94 -9.246 1.485 -14.873 1.00 0.00 H new ATOM 0 HB3 MET A 94 -10.036 2.725 -15.827 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.441 1.211 -16.902 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.263 -0.086 -16.861 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.838 -2.079 -13.971 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.764 -1.528 -15.279 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.606 -0.836 -13.647 1.00 0.00 H new ATOM 1524 N VAL A 95 -8.652 0.273 -18.803 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.095 -0.104 -20.134 1.00 0.00 C ATOM 1526 C VAL A 95 -9.771 -1.475 -20.073 1.00 0.00 C ATOM 1527 O VAL A 95 -9.247 -2.403 -19.459 1.00 0.00 O ATOM 1528 CB VAL A 95 -7.917 -0.061 -21.110 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -8.257 -0.787 -22.413 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -7.481 1.380 -21.382 1.00 0.00 C ATOM 0 H VAL A 95 -8.075 -0.424 -18.332 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.834 0.606 -20.506 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.079 -0.581 -20.646 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.403 -0.741 -23.089 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.494 -1.829 -22.198 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.117 -0.309 -22.882 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.643 1.381 -22.078 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.313 1.936 -21.814 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.177 1.851 -20.447 1.00 0.00 H new ATOM 1540 N ARG A 96 -10.925 -1.559 -20.719 1.00 0.00 N ATOM 1541 CA ARG A 96 -11.679 -2.802 -20.746 1.00 0.00 C ATOM 1542 C ARG A 96 -11.828 -3.363 -19.330 1.00 0.00 C ATOM 1543 O ARG A 96 -11.770 -4.575 -19.130 1.00 0.00 O ATOM 1544 CB ARG A 96 -10.991 -3.843 -21.630 1.00 0.00 C ATOM 1545 CG ARG A 96 -10.996 -3.406 -23.097 1.00 0.00 C ATOM 1546 CD ARG A 96 -12.414 -3.426 -23.671 1.00 0.00 C ATOM 1547 NE ARG A 96 -12.383 -3.084 -25.110 1.00 0.00 N ATOM 1548 CZ ARG A 96 -12.040 -3.953 -26.086 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -11.697 -5.222 -25.783 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -12.047 -3.541 -27.340 1.00 0.00 N ATOM 0 H ARG A 96 -11.356 -0.787 -21.228 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.664 -2.584 -21.160 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.964 -3.989 -21.294 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.499 -4.802 -21.531 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.580 -2.402 -23.182 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.355 -4.068 -23.679 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.857 -4.412 -23.533 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.043 -2.716 -23.134 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.636 -2.134 -25.382 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.695 -5.532 -24.811 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.439 -5.872 -26.526 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.309 -2.580 -27.560 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.791 -4.184 -28.089 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.016 -2.454 -18.385 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.176 -2.843 -16.994 1.00 0.00 C ATOM 1565 C GLY A 97 -10.862 -3.374 -16.418 1.00 0.00 C ATOM 1566 O GLY A 97 -10.856 -4.047 -15.389 1.00 0.00 O ATOM 0 H GLY A 97 -12.061 -1.449 -18.555 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.513 -1.987 -16.410 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.948 -3.608 -16.913 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.777 -3.051 -17.109 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.459 -3.485 -16.679 1.00 0.00 C ATOM 1572 C VAL A 98 -7.549 -2.265 -16.527 1.00 0.00 C ATOM 1573 O VAL A 98 -7.471 -1.428 -17.424 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.906 -4.524 -17.657 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.380 -4.451 -17.731 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.370 -5.933 -17.280 1.00 0.00 C ATOM 0 H VAL A 98 -9.785 -2.494 -17.963 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.516 -3.971 -15.705 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.300 -4.295 -18.647 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.014 -5.200 -18.433 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.079 -3.459 -18.069 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.958 -4.642 -16.744 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.963 -6.652 -17.991 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.019 -6.176 -16.277 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.459 -5.976 -17.303 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.883 -2.203 -15.382 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.982 -1.099 -15.100 1.00 0.00 C ATOM 1588 C GLN A 99 -4.637 -1.320 -15.797 1.00 0.00 C ATOM 1589 O GLN A 99 -3.911 -2.257 -15.468 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.794 -0.916 -13.592 1.00 0.00 C ATOM 1591 CG GLN A 99 -7.077 -0.394 -12.941 1.00 0.00 C ATOM 1592 CD GLN A 99 -7.816 -1.518 -12.210 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -7.506 -2.690 -12.344 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -8.808 -1.096 -11.432 1.00 0.00 N ATOM 0 H GLN A 99 -6.950 -2.899 -14.640 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.426 -0.184 -15.492 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.512 -1.866 -13.139 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.977 -0.219 -13.405 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.835 0.404 -12.239 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.726 0.038 -13.703 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.015 -0.099 -11.365 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.362 -1.769 -10.902 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.348 -0.441 -16.744 1.00 0.00 N ATOM 1604 CA GLU A 100 -3.103 -0.528 -17.490 1.00 0.00 C ATOM 1605 C GLU A 100 -2.142 0.579 -17.051 1.00 0.00 C ATOM 1606 O GLU A 100 -2.337 1.745 -17.388 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.361 -0.463 -18.997 1.00 0.00 C ATOM 1608 CG GLU A 100 -2.053 -0.571 -19.782 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.320 -0.633 -21.288 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -1.854 0.239 -22.036 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -3.040 -1.631 -21.673 1.00 0.00 O ATOM 0 H GLU A 100 -4.953 0.335 -17.013 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.640 -1.491 -17.274 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.033 -1.270 -19.290 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.861 0.473 -19.244 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.418 0.286 -19.557 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.509 -1.462 -19.469 1.00 0.00 H new ATOM 1619 N LEU A 101 -1.125 0.173 -16.304 1.00 0.00 N ATOM 1620 CA LEU A 101 -0.133 1.116 -15.816 1.00 0.00 C ATOM 1621 C LEU A 101 1.130 1.009 -16.673 1.00 0.00 C ATOM 1622 O LEU A 101 1.689 -0.075 -16.830 1.00 0.00 O ATOM 1623 CB LEU A 101 0.118 0.903 -14.322 1.00 0.00 C ATOM 1624 CG LEU A 101 0.526 2.145 -13.527 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.526 1.858 -12.024 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.873 2.687 -14.007 1.00 0.00 C ATOM 0 H LEU A 101 -0.967 -0.795 -16.025 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.499 2.138 -15.912 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.788 0.492 -13.877 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.898 0.151 -14.209 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.215 2.924 -13.707 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.819 2.757 -11.482 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.473 1.556 -11.711 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.232 1.057 -11.807 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.138 3.569 -13.425 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.640 1.923 -13.878 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.802 2.955 -15.061 1.00 0.00 H new ATOM 1638 N LEU A 102 1.544 2.151 -17.205 1.00 0.00 N ATOM 1639 CA LEU A 102 2.730 2.199 -18.043 1.00 0.00 C ATOM 1640 C LEU A 102 3.900 2.754 -17.230 1.00 0.00 C ATOM 1641 O LEU A 102 3.793 3.821 -16.627 1.00 0.00 O ATOM 1642 CB LEU A 102 2.447 2.983 -19.327 1.00 0.00 C ATOM 1643 CG LEU A 102 1.205 2.557 -20.113 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.391 2.806 -21.610 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.840 1.101 -19.815 1.00 0.00 C ATOM 0 H LEU A 102 1.079 3.049 -17.072 1.00 0.00 H new ATOM 0 HA LEU A 102 3.011 1.196 -18.364 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.346 4.038 -19.070 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.314 2.896 -19.981 1.00 0.00 H new ATOM 0 HG LEU A 102 0.367 3.173 -19.786 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.494 2.494 -22.145 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.566 3.868 -21.783 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.246 2.234 -21.971 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.046 0.824 -20.386 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.670 0.453 -20.096 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.635 0.988 -18.750 1.00 0.00 H new ATOM 1657 N LEU A 103 4.993 2.004 -17.239 1.00 0.00 N ATOM 1658 CA LEU A 103 6.184 2.407 -16.508 1.00 0.00 C ATOM 1659 C LEU A 103 7.334 2.618 -17.494 1.00 0.00 C ATOM 1660 O LEU A 103 7.589 1.769 -18.347 1.00 0.00 O ATOM 1661 CB LEU A 103 6.498 1.399 -15.401 1.00 0.00 C ATOM 1662 CG LEU A 103 5.655 1.514 -14.130 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.578 0.172 -13.399 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.177 2.632 -13.223 1.00 0.00 C ATOM 0 H LEU A 103 5.079 1.120 -17.741 1.00 0.00 H new ATOM 0 HA LEU A 103 6.019 3.359 -16.003 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.374 0.395 -15.806 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.548 1.505 -15.128 1.00 0.00 H new ATOM 0 HG LEU A 103 4.639 1.782 -14.419 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.973 0.282 -12.499 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.124 -0.573 -14.053 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.582 -0.151 -13.124 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.559 2.692 -12.327 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.208 2.419 -12.940 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.136 3.582 -13.756 1.00 0.00 H new ATOM 1676 N LYS A 104 7.999 3.754 -17.344 1.00 0.00 N ATOM 1677 CA LYS A 104 9.117 4.087 -18.211 1.00 0.00 C ATOM 1678 C LYS A 104 10.375 4.279 -17.362 1.00 0.00 C ATOM 1679 O LYS A 104 10.356 5.011 -16.373 1.00 0.00 O ATOM 1680 CB LYS A 104 8.775 5.295 -19.085 1.00 0.00 C ATOM 1681 CG LYS A 104 9.803 5.470 -20.205 1.00 0.00 C ATOM 1682 CD LYS A 104 9.327 4.799 -21.495 1.00 0.00 C ATOM 1683 CE LYS A 104 8.431 5.740 -22.305 1.00 0.00 C ATOM 1684 NZ LYS A 104 9.251 6.728 -23.042 1.00 0.00 N ATOM 0 H LYS A 104 7.785 4.456 -16.635 1.00 0.00 H new ATOM 0 HA LYS A 104 9.320 3.269 -18.902 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.782 5.168 -19.515 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.744 6.195 -18.471 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.974 6.532 -20.384 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.757 5.041 -19.898 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.188 4.505 -22.095 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.780 3.888 -21.254 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.828 5.164 -23.006 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.740 6.256 -21.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.871 6.847 -24.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.226 7.641 -22.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.233 6.391 -23.098 1.00 0.00 H new ATOM 1697 N LEU A 105 11.439 3.608 -17.779 1.00 0.00 N ATOM 1698 CA LEU A 105 12.704 3.697 -17.069 1.00 0.00 C ATOM 1699 C LEU A 105 13.710 4.470 -17.923 1.00 0.00 C ATOM 1700 O LEU A 105 13.995 4.085 -19.056 1.00 0.00 O ATOM 1701 CB LEU A 105 13.187 2.304 -16.661 1.00 0.00 C ATOM 1702 CG LEU A 105 14.450 2.257 -15.800 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.257 3.040 -14.500 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.884 0.813 -15.539 1.00 0.00 C ATOM 0 H LEU A 105 11.451 3.001 -18.599 1.00 0.00 H new ATOM 0 HA LEU A 105 12.581 4.253 -16.139 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.383 1.807 -16.118 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.367 1.724 -17.566 1.00 0.00 H new ATOM 0 HG LEU A 105 15.256 2.741 -16.352 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.170 2.990 -13.906 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.031 4.081 -14.732 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.432 2.607 -13.934 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.784 0.809 -14.925 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.087 0.282 -15.018 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.090 0.318 -16.488 1.00 0.00 H new ATOM 1716 N LEU A 106 14.222 5.548 -17.348 1.00 0.00 N ATOM 1717 CA LEU A 106 15.191 6.379 -18.042 1.00 0.00 C ATOM 1718 C LEU A 106 16.581 5.755 -17.908 1.00 0.00 C ATOM 1719 O LEU A 106 16.905 5.168 -16.876 1.00 0.00 O ATOM 1720 CB LEU A 106 15.114 7.823 -17.541 1.00 0.00 C ATOM 1721 CG LEU A 106 13.938 8.652 -18.062 1.00 0.00 C ATOM 1722 CD1 LEU A 106 13.907 8.660 -19.591 1.00 0.00 C ATOM 1723 CD2 LEU A 106 12.617 8.163 -17.465 1.00 0.00 C ATOM 0 H LEU A 106 13.984 5.865 -16.408 1.00 0.00 H new ATOM 0 HA LEU A 106 14.962 6.422 -19.107 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.067 7.807 -16.452 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.039 8.331 -17.813 1.00 0.00 H new ATOM 0 HG LEU A 106 14.077 9.683 -17.738 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.062 9.256 -19.935 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.833 9.091 -19.971 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.804 7.639 -19.958 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.797 8.768 -17.851 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.458 7.120 -17.739 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.653 8.252 -16.379 1.00 0.00 H new