USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 716 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 55 GLN : amide:sc= -7.27! C(o=-6.6!,f=-4.5!) USER MOD Set 1.2: A 90 SER OG : rot 100:sc= 0.646 USER MOD Set 2.1: A 75 ASN : amide:sc= -5.54! C(o=-4.8!,f=-16!) USER MOD Set 2.2: A 76 SER OG : rot -63:sc= 0.707 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -3.45 K(o=-6.9,f=-2.8) USER MOD Set 3.2: A 49 LYS NZ :NH3+ 134:sc= -3.46! (180deg=-2.59!) USER MOD Single : A 13 LYS NZ :NH3+ -107:sc= -1.85 (180deg=-3.93!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -3.9! C(o=-3.9!,f=-3.2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0576 USER MOD Single : A 45 SER OG : rot -130:sc= -2.4! USER MOD Single : A 47 SER OG : rot -150:sc= -0.725! USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.907 K(o=-0.91,f=-4.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= -3.71! (180deg=-7.52!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0975) USER MOD Single : A 78 ASN : amide:sc= -1.45 K(o=-1.5,f=-0.77) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -2.82 K(o=-2.8,f=-11!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -41:sc= 1.08 USER MOD Single : A 88 SER OG : rot 13:sc= 0.108! USER MOD Single : A 94 GLN : amide:sc= -6.03! C(o=-6!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 8 8.193 5.063 6.361 1.00 0.00 N ATOM 115 CA PRO A 8 7.797 3.668 6.262 1.00 0.00 C ATOM 116 C PRO A 8 6.409 3.519 5.635 1.00 0.00 C ATOM 117 O PRO A 8 5.426 4.095 6.086 1.00 0.00 O ATOM 118 CB PRO A 8 7.762 3.189 7.711 1.00 0.00 C ATOM 119 CG PRO A 8 7.569 4.452 8.553 1.00 0.00 C ATOM 120 CD PRO A 8 8.166 5.587 7.719 1.00 0.00 C ATOM 0 HA PRO A 8 8.480 3.098 5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.948 2.482 7.871 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.686 2.677 7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.514 4.629 8.760 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.073 4.364 9.516 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.559 6.490 7.784 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.166 5.850 8.064 1.00 0.00 H new ATOM 128 N TRP A 9 6.414 2.716 4.558 1.00 0.00 N ATOM 129 CA TRP A 9 5.182 2.506 3.817 1.00 0.00 C ATOM 130 C TRP A 9 4.378 3.807 3.731 1.00 0.00 C ATOM 131 O TRP A 9 3.177 3.847 3.966 1.00 0.00 O ATOM 132 CB TRP A 9 4.351 1.372 4.433 1.00 0.00 C ATOM 133 CG TRP A 9 4.097 1.616 5.905 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.959 1.256 6.948 1.00 0.00 C ATOM 135 CD2 TRP A 9 2.949 2.242 6.512 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.426 1.616 8.142 1.00 0.00 N ATOM 137 CE2 TRP A 9 3.193 2.227 7.952 1.00 0.00 C ATOM 138 CE3 TRP A 9 1.755 2.803 6.000 1.00 0.00 C ATOM 139 CZ2 TRP A 9 2.240 2.775 8.843 1.00 0.00 C ATOM 140 CZ3 TRP A 9 0.779 3.363 6.904 1.00 0.00 C ATOM 141 CH2 TRP A 9 1.023 3.349 8.326 1.00 0.00 C ATOM 0 H TRP A 9 7.231 2.222 4.199 1.00 0.00 H new ATOM 0 HA TRP A 9 5.441 2.203 2.802 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.400 1.287 3.907 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.873 0.424 4.304 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.911 0.763 6.820 1.00 0.00 H new ATOM 0 HE1 TRP A 9 4.867 1.461 9.049 1.00 0.00 H new ATOM 0 HE3 TRP A 9 1.574 2.812 4.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.424 2.763 9.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -0.133 3.792 6.516 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.294 3.769 9.003 1.00 0.00 H new ATOM 152 N PHE A 10 5.126 4.864 3.366 1.00 0.00 N ATOM 153 CA PHE A 10 4.461 6.140 3.183 1.00 0.00 C ATOM 154 C PHE A 10 5.093 6.879 2.000 1.00 0.00 C ATOM 155 O PHE A 10 6.216 7.365 2.065 1.00 0.00 O ATOM 156 CB PHE A 10 4.583 6.974 4.459 1.00 0.00 C ATOM 157 CG PHE A 10 3.908 8.306 4.311 1.00 0.00 C ATOM 158 CD1 PHE A 10 2.723 8.437 3.501 1.00 0.00 C ATOM 159 CD2 PHE A 10 4.440 9.465 4.981 1.00 0.00 C ATOM 160 CE1 PHE A 10 2.076 9.715 3.361 1.00 0.00 C ATOM 161 CE2 PHE A 10 3.796 10.744 4.843 1.00 0.00 C ATOM 162 CZ PHE A 10 2.613 10.868 4.032 1.00 0.00 C ATOM 0 H PHE A 10 6.133 4.855 3.203 1.00 0.00 H new ATOM 0 HA PHE A 10 3.404 5.975 2.974 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.140 6.431 5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.636 7.123 4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.319 7.572 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.327 9.373 5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.188 9.808 2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.199 11.610 5.347 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.129 11.828 3.927 1.00 0.00 H new ATOM 172 N PHE A 11 4.291 6.924 0.920 1.00 0.00 N ATOM 173 CA PHE A 11 4.781 7.564 -0.286 1.00 0.00 C ATOM 174 C PHE A 11 3.792 8.653 -0.716 1.00 0.00 C ATOM 175 O PHE A 11 2.784 8.399 -1.363 1.00 0.00 O ATOM 176 CB PHE A 11 4.968 6.503 -1.377 1.00 0.00 C ATOM 177 CG PHE A 11 6.164 5.643 -1.090 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.216 4.832 0.101 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.276 5.628 -2.005 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.370 4.020 0.377 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.431 4.815 -1.733 1.00 0.00 C ATOM 182 CZ PHE A 11 8.478 4.013 -0.540 1.00 0.00 C ATOM 0 H PHE A 11 3.347 6.541 0.867 1.00 0.00 H new ATOM 0 HA PHE A 11 5.746 8.038 -0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.075 5.881 -1.442 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.089 6.989 -2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.384 4.834 0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.243 6.231 -2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.405 3.416 1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.261 4.807 -2.423 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.346 3.405 -0.333 1.00 0.00 H new ATOM 192 N GLY A 12 4.167 9.876 -0.294 1.00 0.00 N ATOM 193 CA GLY A 12 3.318 11.042 -0.479 1.00 0.00 C ATOM 194 C GLY A 12 2.396 10.917 -1.696 1.00 0.00 C ATOM 195 O GLY A 12 1.393 10.213 -1.685 1.00 0.00 O ATOM 0 H GLY A 12 5.052 10.070 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.713 11.191 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.944 11.927 -0.592 1.00 0.00 H new ATOM 199 N LYS A 13 2.793 11.679 -2.730 1.00 0.00 N ATOM 200 CA LYS A 13 1.995 11.680 -3.934 1.00 0.00 C ATOM 201 C LYS A 13 2.767 10.965 -5.045 1.00 0.00 C ATOM 202 O LYS A 13 2.982 11.490 -6.131 1.00 0.00 O ATOM 203 CB LYS A 13 1.691 13.128 -4.323 1.00 0.00 C ATOM 204 CG LYS A 13 0.755 13.201 -5.523 1.00 0.00 C ATOM 205 CD LYS A 13 0.419 14.643 -5.904 1.00 0.00 C ATOM 206 CE LYS A 13 -0.530 14.709 -7.101 1.00 0.00 C ATOM 207 NZ LYS A 13 -1.837 14.135 -6.805 1.00 0.00 N ATOM 0 H LYS A 13 3.624 12.271 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 13 1.053 11.155 -3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.240 13.646 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.622 13.646 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.217 12.700 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.165 12.662 -5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.036 15.147 -5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.338 15.180 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.653 15.748 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.086 14.179 -7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.931 13.219 -7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.931 13.997 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.583 14.780 -7.137 1.00 0.00 H new ATOM 221 N ILE A 14 3.178 9.736 -4.687 1.00 0.00 N ATOM 222 CA ILE A 14 3.941 8.981 -5.661 1.00 0.00 C ATOM 223 C ILE A 14 3.007 8.545 -6.797 1.00 0.00 C ATOM 224 O ILE A 14 1.907 8.057 -6.562 1.00 0.00 O ATOM 225 CB ILE A 14 4.565 7.760 -4.982 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.726 7.205 -5.807 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.510 6.682 -4.737 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.939 8.136 -5.759 1.00 0.00 C ATOM 0 H ILE A 14 3.005 9.280 -3.791 1.00 0.00 H new ATOM 0 HA ILE A 14 4.740 9.597 -6.073 1.00 0.00 H new ATOM 0 HB ILE A 14 4.962 8.077 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.005 6.221 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.409 7.071 -6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.974 5.822 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.725 7.080 -4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.077 6.373 -5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.747 7.712 -6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.665 9.112 -6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.271 8.248 -4.727 1.00 0.00 H new ATOM 240 N PRO A 15 3.491 8.747 -8.044 1.00 0.00 N ATOM 241 CA PRO A 15 2.731 8.401 -9.236 1.00 0.00 C ATOM 242 C PRO A 15 2.536 6.888 -9.350 1.00 0.00 C ATOM 243 O PRO A 15 3.484 6.113 -9.342 1.00 0.00 O ATOM 244 CB PRO A 15 3.575 8.920 -10.398 1.00 0.00 C ATOM 245 CG PRO A 15 4.988 9.084 -9.833 1.00 0.00 C ATOM 246 CD PRO A 15 4.802 9.308 -8.330 1.00 0.00 C ATOM 0 HA PRO A 15 1.731 8.835 -9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.565 8.221 -11.234 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.189 9.868 -10.771 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.593 8.198 -10.026 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.500 9.928 -10.295 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.582 8.810 -7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.845 10.367 -8.077 1.00 0.00 H new ATOM 254 N ARG A 16 1.239 6.535 -9.443 1.00 0.00 N ATOM 255 CA ARG A 16 0.869 5.129 -9.527 1.00 0.00 C ATOM 256 C ARG A 16 1.924 4.325 -10.296 1.00 0.00 C ATOM 257 O ARG A 16 2.270 3.207 -9.936 1.00 0.00 O ATOM 258 CB ARG A 16 -0.490 4.996 -10.215 1.00 0.00 C ATOM 259 CG ARG A 16 -0.949 3.539 -10.287 1.00 0.00 C ATOM 260 CD ARG A 16 -2.303 3.402 -10.982 1.00 0.00 C ATOM 261 NE ARG A 16 -2.701 2.008 -11.026 1.00 0.00 N ATOM 262 CZ ARG A 16 -3.607 1.621 -11.944 1.00 0.00 C ATOM 263 NH1 ARG A 16 -4.121 2.506 -12.795 1.00 0.00 N ATOM 264 NH2 ARG A 16 -3.990 0.349 -12.001 1.00 0.00 N ATOM 0 H ARG A 16 0.458 7.191 -9.461 1.00 0.00 H new ATOM 0 HA ARG A 16 0.809 4.728 -8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.231 5.584 -9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.430 5.408 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.205 2.950 -10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.015 3.129 -9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.054 3.986 -10.451 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.244 3.804 -11.994 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.302 1.333 -10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.829 3.482 -12.754 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.807 2.208 -13.489 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.598 -0.331 -11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.676 0.054 -12.696 1.00 0.00 H new ATOM 278 N ALA A 17 2.425 4.980 -11.361 1.00 0.00 N ATOM 279 CA ALA A 17 3.511 4.353 -12.086 1.00 0.00 C ATOM 280 C ALA A 17 4.629 4.005 -11.106 1.00 0.00 C ATOM 281 O ALA A 17 4.762 2.874 -10.658 1.00 0.00 O ATOM 282 CB ALA A 17 4.028 5.301 -13.168 1.00 0.00 C ATOM 0 H ALA A 17 2.111 5.885 -11.711 1.00 0.00 H new ATOM 0 HA ALA A 17 3.157 3.441 -12.566 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.845 4.824 -13.710 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.221 5.536 -13.862 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.388 6.220 -12.705 1.00 0.00 H new ATOM 288 N LYS A 18 5.419 5.056 -10.815 1.00 0.00 N ATOM 289 CA LYS A 18 6.567 4.864 -9.945 1.00 0.00 C ATOM 290 C LYS A 18 6.263 3.853 -8.834 1.00 0.00 C ATOM 291 O LYS A 18 7.110 3.058 -8.447 1.00 0.00 O ATOM 292 CB LYS A 18 6.990 6.200 -9.341 1.00 0.00 C ATOM 293 CG LYS A 18 8.293 6.062 -8.556 1.00 0.00 C ATOM 294 CD LYS A 18 9.465 5.682 -9.462 1.00 0.00 C ATOM 295 CE LYS A 18 9.766 6.772 -10.491 1.00 0.00 C ATOM 296 NZ LYS A 18 10.885 6.423 -11.358 1.00 0.00 N ATOM 0 H LYS A 18 5.283 6.006 -11.160 1.00 0.00 H new ATOM 0 HA LYS A 18 7.384 4.464 -10.545 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.116 6.937 -10.134 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.203 6.570 -8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.514 7.002 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.172 5.305 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.351 5.503 -8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.238 4.749 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.879 6.948 -11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.988 7.705 -9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.050 7.192 -12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.739 6.280 -10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.665 5.547 -11.873 1.00 0.00 H new ATOM 310 N ALA A 19 5.004 3.918 -8.359 1.00 0.00 N ATOM 311 CA ALA A 19 4.619 2.945 -7.356 1.00 0.00 C ATOM 312 C ALA A 19 4.785 1.540 -7.934 1.00 0.00 C ATOM 313 O ALA A 19 5.683 0.790 -7.572 1.00 0.00 O ATOM 314 CB ALA A 19 3.163 3.163 -6.942 1.00 0.00 C ATOM 0 H ALA A 19 4.289 4.590 -8.638 1.00 0.00 H new ATOM 0 HA ALA A 19 5.254 3.061 -6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.885 2.426 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.048 4.165 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.517 3.053 -7.813 1.00 0.00 H new ATOM 320 N GLU A 20 3.847 1.246 -8.852 1.00 0.00 N ATOM 321 CA GLU A 20 3.860 -0.067 -9.467 1.00 0.00 C ATOM 322 C GLU A 20 5.294 -0.449 -9.844 1.00 0.00 C ATOM 323 O GLU A 20 5.824 -1.474 -9.438 1.00 0.00 O ATOM 324 CB GLU A 20 2.975 -0.051 -10.714 1.00 0.00 C ATOM 325 CG GLU A 20 1.516 0.251 -10.373 1.00 0.00 C ATOM 326 CD GLU A 20 0.675 0.265 -11.651 1.00 0.00 C ATOM 327 OE1 GLU A 20 1.243 0.458 -12.725 1.00 0.00 O ATOM 328 OE2 GLU A 20 -0.537 0.076 -11.559 1.00 0.00 O ATOM 0 H GLU A 20 3.108 1.875 -9.165 1.00 0.00 H new ATOM 0 HA GLU A 20 3.474 -0.804 -8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.347 0.698 -11.414 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.038 -1.016 -11.217 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.132 -0.500 -9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.443 1.215 -9.869 1.00 0.00 H new ATOM 335 N GLU A 21 5.870 0.461 -10.646 1.00 0.00 N ATOM 336 CA GLU A 21 7.233 0.271 -11.097 1.00 0.00 C ATOM 337 C GLU A 21 8.093 -0.356 -9.991 1.00 0.00 C ATOM 338 O GLU A 21 8.180 -1.572 -9.861 1.00 0.00 O ATOM 339 CB GLU A 21 7.794 1.619 -11.544 1.00 0.00 C ATOM 340 CG GLU A 21 6.948 2.203 -12.674 1.00 0.00 C ATOM 341 CD GLU A 21 7.073 1.327 -13.922 1.00 0.00 C ATOM 342 OE1 GLU A 21 6.277 0.401 -14.072 1.00 0.00 O ATOM 343 OE2 GLU A 21 7.963 1.584 -14.732 1.00 0.00 O ATOM 0 H GLU A 21 5.416 1.311 -10.982 1.00 0.00 H new ATOM 0 HA GLU A 21 7.248 -0.420 -11.940 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.812 2.310 -10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.824 1.498 -11.879 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.905 2.264 -12.365 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.275 3.219 -12.897 1.00 0.00 H new ATOM 350 N MET A 22 8.738 0.546 -9.228 1.00 0.00 N ATOM 351 CA MET A 22 9.703 0.044 -8.266 1.00 0.00 C ATOM 352 C MET A 22 9.048 -0.956 -7.311 1.00 0.00 C ATOM 353 O MET A 22 9.623 -1.982 -6.968 1.00 0.00 O ATOM 354 CB MET A 22 10.336 1.198 -7.488 1.00 0.00 C ATOM 355 CG MET A 22 9.360 1.835 -6.498 1.00 0.00 C ATOM 356 SD MET A 22 10.120 3.206 -5.614 1.00 0.00 S ATOM 357 CE MET A 22 10.722 2.281 -4.192 1.00 0.00 C ATOM 0 H MET A 22 8.614 1.558 -9.260 1.00 0.00 H new ATOM 0 HA MET A 22 10.491 -0.475 -8.812 1.00 0.00 H new ATOM 0 HB2 MET A 22 11.210 0.833 -6.949 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.686 1.956 -8.188 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.478 2.189 -7.031 1.00 0.00 H new ATOM 0 HG3 MET A 22 9.021 1.084 -5.785 1.00 0.00 H new ATOM 0 HE1 MET A 22 11.234 2.958 -3.508 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.881 1.814 -3.679 1.00 0.00 H new ATOM 0 HE3 MET A 22 11.416 1.510 -4.527 1.00 0.00 H new ATOM 367 N LEU A 23 7.814 -0.600 -6.911 1.00 0.00 N ATOM 368 CA LEU A 23 7.126 -1.510 -6.012 1.00 0.00 C ATOM 369 C LEU A 23 7.137 -2.950 -6.553 1.00 0.00 C ATOM 370 O LEU A 23 7.186 -3.913 -5.797 1.00 0.00 O ATOM 371 CB LEU A 23 5.685 -1.050 -5.806 1.00 0.00 C ATOM 372 CG LEU A 23 4.979 -1.887 -4.740 1.00 0.00 C ATOM 373 CD1 LEU A 23 5.685 -1.748 -3.394 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.518 -1.463 -4.612 1.00 0.00 C ATOM 0 H LEU A 23 7.312 0.247 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 23 7.654 -1.501 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.675 -0.000 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.140 -1.123 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 23 5.016 -2.933 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.168 -2.351 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.716 -2.091 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.677 -0.703 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.029 -2.068 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.468 -0.412 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.013 -1.606 -5.567 1.00 0.00 H new ATOM 386 N SER A 24 7.098 -3.035 -7.896 1.00 0.00 N ATOM 387 CA SER A 24 7.181 -4.352 -8.504 1.00 0.00 C ATOM 388 C SER A 24 8.625 -4.873 -8.446 1.00 0.00 C ATOM 389 O SER A 24 8.881 -6.041 -8.184 1.00 0.00 O ATOM 390 CB SER A 24 6.705 -4.281 -9.956 1.00 0.00 C ATOM 391 OG SER A 24 6.750 -5.549 -10.556 1.00 0.00 O ATOM 0 H SER A 24 7.014 -2.249 -8.540 1.00 0.00 H new ATOM 0 HA SER A 24 6.541 -5.040 -7.952 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.687 -3.892 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.331 -3.586 -10.516 1.00 0.00 H new ATOM 0 HG SER A 24 6.440 -5.483 -11.484 1.00 0.00 H new ATOM 397 N LYS A 25 9.545 -3.921 -8.691 1.00 0.00 N ATOM 398 CA LYS A 25 10.955 -4.238 -8.593 1.00 0.00 C ATOM 399 C LYS A 25 11.373 -4.435 -7.126 1.00 0.00 C ATOM 400 O LYS A 25 12.469 -4.066 -6.724 1.00 0.00 O ATOM 401 CB LYS A 25 11.729 -3.073 -9.204 1.00 0.00 C ATOM 402 CG LYS A 25 11.363 -2.873 -10.675 1.00 0.00 C ATOM 403 CD LYS A 25 11.685 -1.458 -11.153 1.00 0.00 C ATOM 404 CE LYS A 25 11.704 -1.358 -12.678 1.00 0.00 C ATOM 405 NZ LYS A 25 10.393 -1.611 -13.266 1.00 0.00 N ATOM 0 H LYS A 25 9.332 -2.958 -8.950 1.00 0.00 H new ATOM 0 HA LYS A 25 11.167 -5.167 -9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.516 -2.161 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.799 -3.259 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.905 -3.595 -11.286 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.300 -3.071 -10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.946 -0.764 -10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.654 -1.154 -10.758 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.045 -0.365 -12.971 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.423 -2.073 -13.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.456 -1.532 -14.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.077 -2.568 -13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.711 -0.913 -12.906 1.00 0.00 H new ATOM 419 N GLN A 26 10.439 -5.029 -6.357 1.00 0.00 N ATOM 420 CA GLN A 26 10.752 -5.252 -4.959 1.00 0.00 C ATOM 421 C GLN A 26 11.125 -6.719 -4.742 1.00 0.00 C ATOM 422 O GLN A 26 11.268 -7.496 -5.677 1.00 0.00 O ATOM 423 CB GLN A 26 9.552 -4.862 -4.095 1.00 0.00 C ATOM 424 CG GLN A 26 9.295 -3.355 -4.139 1.00 0.00 C ATOM 425 CD GLN A 26 10.523 -2.604 -3.620 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.551 -2.509 -4.280 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.338 -2.075 -2.398 1.00 0.00 N ATOM 0 H GLN A 26 9.519 -5.342 -6.668 1.00 0.00 H new ATOM 0 HA GLN A 26 11.602 -4.634 -4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.665 -5.393 -4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.728 -5.172 -3.065 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.072 -3.045 -5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.423 -3.108 -3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.448 -2.202 -1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.088 -1.547 -1.952 1.00 0.00 H new ATOM 436 N ARG A 27 11.282 -7.034 -3.443 1.00 0.00 N ATOM 437 CA ARG A 27 11.709 -8.383 -3.115 1.00 0.00 C ATOM 438 C ARG A 27 10.552 -9.379 -3.275 1.00 0.00 C ATOM 439 O ARG A 27 10.416 -10.322 -2.505 1.00 0.00 O ATOM 440 CB ARG A 27 12.242 -8.431 -1.682 1.00 0.00 C ATOM 441 CG ARG A 27 13.566 -7.680 -1.511 1.00 0.00 C ATOM 442 CD ARG A 27 13.416 -6.162 -1.604 1.00 0.00 C ATOM 443 NE ARG A 27 14.682 -5.522 -1.304 1.00 0.00 N ATOM 444 CZ ARG A 27 15.597 -5.404 -2.286 1.00 0.00 C ATOM 445 NH1 ARG A 27 15.334 -5.866 -3.506 1.00 0.00 N ATOM 446 NH2 ARG A 27 16.766 -4.823 -2.035 1.00 0.00 N ATOM 0 H ARG A 27 11.128 -6.407 -2.654 1.00 0.00 H new ATOM 0 HA ARG A 27 12.504 -8.666 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.499 -8.004 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.380 -9.471 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.999 -7.937 -0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.268 -8.016 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.084 -5.881 -2.604 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.651 -5.820 -0.907 1.00 0.00 H new ATOM 0 HE ARG A 27 14.876 -5.168 -0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.437 -6.311 -3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.029 -5.775 -4.247 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.969 -4.468 -1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.460 -4.733 -2.777 1.00 0.00 H new ATOM 460 N HIS A 28 9.743 -9.116 -4.320 1.00 0.00 N ATOM 461 CA HIS A 28 8.651 -10.026 -4.616 1.00 0.00 C ATOM 462 C HIS A 28 8.003 -10.554 -3.330 1.00 0.00 C ATOM 463 O HIS A 28 7.593 -11.706 -3.252 1.00 0.00 O ATOM 464 CB HIS A 28 9.186 -11.193 -5.445 1.00 0.00 C ATOM 465 CG HIS A 28 9.722 -10.681 -6.761 1.00 0.00 C ATOM 466 ND1 HIS A 28 10.970 -10.196 -6.929 1.00 0.00 N ATOM 467 CD2 HIS A 28 9.051 -10.617 -7.995 1.00 0.00 C ATOM 468 CE1 HIS A 28 11.056 -9.847 -8.225 1.00 0.00 C ATOM 469 NE2 HIS A 28 9.913 -10.090 -8.894 1.00 0.00 N ATOM 0 H HIS A 28 9.828 -8.312 -4.942 1.00 0.00 H new ATOM 0 HA HIS A 28 7.888 -9.486 -5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.974 -11.709 -4.897 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.393 -11.919 -5.623 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.036 -10.930 -8.189 1.00 0.00 H new ATOM 0 HE1 HIS A 28 11.940 -9.421 -8.677 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.733 -9.912 -9.882 1.00 0.00 H new ATOM 477 N ASP A 29 7.941 -9.653 -2.330 1.00 0.00 N ATOM 478 CA ASP A 29 7.367 -10.107 -1.076 1.00 0.00 C ATOM 479 C ASP A 29 6.509 -9.012 -0.438 1.00 0.00 C ATOM 480 O ASP A 29 6.892 -8.380 0.539 1.00 0.00 O ATOM 481 CB ASP A 29 8.476 -10.529 -0.112 1.00 0.00 C ATOM 482 CG ASP A 29 9.254 -11.713 -0.691 1.00 0.00 C ATOM 483 OD1 ASP A 29 8.629 -12.598 -1.272 1.00 0.00 O ATOM 484 OD2 ASP A 29 10.476 -11.733 -0.556 1.00 0.00 O ATOM 0 H ASP A 29 8.257 -8.684 -2.366 1.00 0.00 H new ATOM 0 HA ASP A 29 6.728 -10.965 -1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.151 -9.692 0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.046 -10.803 0.852 1.00 0.00 H new ATOM 489 N GLY A 30 5.311 -8.869 -1.033 1.00 0.00 N ATOM 490 CA GLY A 30 4.320 -8.016 -0.409 1.00 0.00 C ATOM 491 C GLY A 30 4.881 -6.658 0.041 1.00 0.00 C ATOM 492 O GLY A 30 4.298 -5.989 0.888 1.00 0.00 O ATOM 0 H GLY A 30 5.026 -9.316 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.502 -7.849 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.900 -8.531 0.455 1.00 0.00 H new ATOM 496 N ALA A 31 6.020 -6.274 -0.567 1.00 0.00 N ATOM 497 CA ALA A 31 6.488 -4.927 -0.289 1.00 0.00 C ATOM 498 C ALA A 31 5.332 -3.959 -0.555 1.00 0.00 C ATOM 499 O ALA A 31 4.608 -4.093 -1.533 1.00 0.00 O ATOM 500 CB ALA A 31 7.684 -4.592 -1.180 1.00 0.00 C ATOM 0 H ALA A 31 6.587 -6.835 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 31 6.811 -4.844 0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.027 -3.580 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.491 -5.298 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.388 -4.658 -2.227 1.00 0.00 H new ATOM 506 N PHE A 32 5.169 -3.009 0.385 1.00 0.00 N ATOM 507 CA PHE A 32 3.949 -2.224 0.282 1.00 0.00 C ATOM 508 C PHE A 32 4.196 -0.744 0.575 1.00 0.00 C ATOM 509 O PHE A 32 5.042 -0.364 1.374 1.00 0.00 O ATOM 510 CB PHE A 32 2.902 -2.773 1.253 1.00 0.00 C ATOM 511 CG PHE A 32 3.312 -2.570 2.683 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.290 -3.437 3.290 1.00 0.00 C ATOM 513 CD2 PHE A 32 2.730 -1.504 3.458 1.00 0.00 C ATOM 514 CE1 PHE A 32 4.683 -3.241 4.661 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.120 -1.307 4.829 1.00 0.00 C ATOM 516 CZ PHE A 32 4.097 -2.175 5.429 1.00 0.00 C ATOM 0 H PHE A 32 5.805 -2.787 1.151 1.00 0.00 H new ATOM 0 HA PHE A 32 3.588 -2.303 -0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.946 -2.280 1.075 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.753 -3.836 1.064 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.730 -4.237 2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.998 -0.850 3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.416 -3.893 5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.679 -0.508 5.407 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.391 -2.026 6.457 1.00 0.00 H new ATOM 526 N LEU A 33 3.366 0.055 -0.121 1.00 0.00 N ATOM 527 CA LEU A 33 3.360 1.470 0.192 1.00 0.00 C ATOM 528 C LEU A 33 1.924 1.987 0.167 1.00 0.00 C ATOM 529 O LEU A 33 1.063 1.480 -0.542 1.00 0.00 O ATOM 530 CB LEU A 33 4.262 2.266 -0.760 1.00 0.00 C ATOM 531 CG LEU A 33 3.878 2.184 -2.242 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.700 3.099 -2.588 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.080 2.566 -3.110 1.00 0.00 C ATOM 0 H LEU A 33 2.730 -0.244 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 33 3.769 1.609 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.251 3.313 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.286 1.911 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 33 3.574 1.156 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.466 3.005 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.830 2.811 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.964 4.133 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.802 2.506 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.391 3.584 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.904 1.880 -2.913 1.00 0.00 H new ATOM 545 N ILE A 34 1.731 3.024 0.998 1.00 0.00 N ATOM 546 CA ILE A 34 0.437 3.674 0.987 1.00 0.00 C ATOM 547 C ILE A 34 0.624 5.126 0.549 1.00 0.00 C ATOM 548 O ILE A 34 1.159 5.956 1.273 1.00 0.00 O ATOM 549 CB ILE A 34 -0.194 3.611 2.377 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.511 2.166 2.762 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.458 4.471 2.430 1.00 0.00 C ATOM 552 CD1 ILE A 34 -1.156 2.075 4.146 1.00 0.00 C ATOM 0 H ILE A 34 2.419 3.405 1.647 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.229 3.166 0.290 1.00 0.00 H new ATOM 0 HB ILE A 34 0.523 4.006 3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.180 1.731 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.406 1.577 2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.895 4.415 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.203 5.506 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.178 4.106 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.366 1.032 4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.476 2.486 4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.087 2.642 4.152 1.00 0.00 H new ATOM 564 N ARG A 35 0.162 5.362 -0.691 1.00 0.00 N ATOM 565 CA ARG A 35 0.401 6.676 -1.250 1.00 0.00 C ATOM 566 C ARG A 35 -0.834 7.560 -1.089 1.00 0.00 C ATOM 567 O ARG A 35 -1.971 7.130 -1.239 1.00 0.00 O ATOM 568 CB ARG A 35 0.784 6.552 -2.725 1.00 0.00 C ATOM 569 CG ARG A 35 -0.344 5.952 -3.562 1.00 0.00 C ATOM 570 CD ARG A 35 0.078 5.744 -5.018 1.00 0.00 C ATOM 571 NE ARG A 35 -1.034 5.227 -5.792 1.00 0.00 N ATOM 572 CZ ARG A 35 -1.440 3.961 -5.578 1.00 0.00 C ATOM 573 NH1 ARG A 35 -0.827 3.204 -4.671 1.00 0.00 N ATOM 574 NH2 ARG A 35 -2.459 3.465 -6.274 1.00 0.00 N ATOM 0 H ARG A 35 -0.344 4.702 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 35 1.225 7.143 -0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.041 7.536 -3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.674 5.930 -2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.648 4.998 -3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.213 6.609 -3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.420 6.688 -5.444 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.917 5.050 -5.066 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.500 5.812 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.046 3.582 -4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.138 2.246 -4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.932 4.043 -6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.768 2.506 -6.113 1.00 0.00 H new ATOM 588 N GLU A 36 -0.517 8.825 -0.762 1.00 0.00 N ATOM 589 CA GLU A 36 -1.592 9.781 -0.580 1.00 0.00 C ATOM 590 C GLU A 36 -1.647 10.721 -1.785 1.00 0.00 C ATOM 591 O GLU A 36 -0.630 11.181 -2.292 1.00 0.00 O ATOM 592 CB GLU A 36 -1.366 10.576 0.705 1.00 0.00 C ATOM 593 CG GLU A 36 -0.058 11.364 0.665 1.00 0.00 C ATOM 594 CD GLU A 36 0.126 12.135 1.974 1.00 0.00 C ATOM 595 OE1 GLU A 36 -0.766 12.081 2.818 1.00 0.00 O ATOM 596 OE2 GLU A 36 1.161 12.782 2.134 1.00 0.00 O ATOM 0 H GLU A 36 0.428 9.185 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.541 9.252 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.199 11.262 0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.354 9.895 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.781 10.685 0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.066 12.056 -0.177 1.00 0.00 H new ATOM 603 N SER A 37 -2.899 10.965 -2.212 1.00 0.00 N ATOM 604 CA SER A 37 -3.071 11.831 -3.360 1.00 0.00 C ATOM 605 C SER A 37 -2.436 13.195 -3.077 1.00 0.00 C ATOM 606 O SER A 37 -1.518 13.328 -2.277 1.00 0.00 O ATOM 607 CB SER A 37 -4.565 11.980 -3.646 1.00 0.00 C ATOM 608 OG SER A 37 -5.149 10.726 -3.897 1.00 0.00 O ATOM 0 H SER A 37 -3.754 10.593 -1.798 1.00 0.00 H new ATOM 0 HA SER A 37 -2.581 11.400 -4.233 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.058 12.453 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.713 12.634 -4.505 1.00 0.00 H new ATOM 0 HG SER A 37 -6.106 10.841 -4.076 1.00 0.00 H new ATOM 614 N GLU A 38 -2.993 14.196 -3.782 1.00 0.00 N ATOM 615 CA GLU A 38 -2.469 15.533 -3.589 1.00 0.00 C ATOM 616 C GLU A 38 -2.887 16.054 -2.208 1.00 0.00 C ATOM 617 O GLU A 38 -2.239 15.792 -1.202 1.00 0.00 O ATOM 618 CB GLU A 38 -2.964 16.450 -4.710 1.00 0.00 C ATOM 619 CG GLU A 38 -2.430 17.873 -4.564 1.00 0.00 C ATOM 620 CD GLU A 38 -2.955 18.748 -5.704 1.00 0.00 C ATOM 621 OE1 GLU A 38 -4.092 18.540 -6.126 1.00 0.00 O ATOM 622 OE2 GLU A 38 -2.221 19.623 -6.159 1.00 0.00 O ATOM 0 H GLU A 38 -3.759 14.104 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.380 15.515 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.655 16.044 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.054 16.470 -4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.737 18.289 -3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.340 17.864 -4.574 1.00 0.00 H new ATOM 629 N SER A 39 -4.002 16.808 -2.227 1.00 0.00 N ATOM 630 CA SER A 39 -4.485 17.343 -0.968 1.00 0.00 C ATOM 631 C SER A 39 -5.462 16.359 -0.314 1.00 0.00 C ATOM 632 O SER A 39 -5.430 16.127 0.888 1.00 0.00 O ATOM 633 CB SER A 39 -5.174 18.687 -1.210 1.00 0.00 C ATOM 634 OG SER A 39 -6.283 18.530 -2.059 1.00 0.00 O ATOM 0 H SER A 39 -4.549 17.044 -3.055 1.00 0.00 H new ATOM 0 HA SER A 39 -3.639 17.491 -0.296 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.495 19.113 -0.260 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.467 19.389 -1.652 1.00 0.00 H new ATOM 0 HG SER A 39 -6.712 19.400 -2.201 1.00 0.00 H new ATOM 640 N ALA A 40 -6.323 15.796 -1.185 1.00 0.00 N ATOM 641 CA ALA A 40 -7.312 14.849 -0.700 1.00 0.00 C ATOM 642 C ALA A 40 -6.700 13.950 0.385 1.00 0.00 C ATOM 643 O ALA A 40 -5.986 12.998 0.092 1.00 0.00 O ATOM 644 CB ALA A 40 -7.796 13.986 -1.866 1.00 0.00 C ATOM 0 H ALA A 40 -6.346 15.979 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.151 15.396 -0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.539 13.273 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.243 14.623 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.952 13.446 -2.294 1.00 0.00 H new ATOM 650 N PRO A 41 -7.011 14.295 1.657 1.00 0.00 N ATOM 651 CA PRO A 41 -6.471 13.572 2.806 1.00 0.00 C ATOM 652 C PRO A 41 -7.144 12.218 3.099 1.00 0.00 C ATOM 653 O PRO A 41 -6.724 11.480 3.982 1.00 0.00 O ATOM 654 CB PRO A 41 -6.764 14.511 3.976 1.00 0.00 C ATOM 655 CG PRO A 41 -7.984 15.326 3.541 1.00 0.00 C ATOM 656 CD PRO A 41 -7.877 15.412 2.018 1.00 0.00 C ATOM 0 HA PRO A 41 -5.423 13.331 2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.970 13.951 4.888 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.912 15.158 4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.912 14.841 3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.979 16.317 3.994 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.855 15.327 1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.451 16.364 1.702 1.00 0.00 H new ATOM 664 N GLY A 42 -8.196 11.937 2.309 1.00 0.00 N ATOM 665 CA GLY A 42 -8.902 10.685 2.512 1.00 0.00 C ATOM 666 C GLY A 42 -8.731 9.746 1.312 1.00 0.00 C ATOM 667 O GLY A 42 -9.648 9.034 0.923 1.00 0.00 O ATOM 0 H GLY A 42 -8.554 12.534 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.530 10.198 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.962 10.885 2.672 1.00 0.00 H new ATOM 671 N ASP A 43 -7.506 9.791 0.755 1.00 0.00 N ATOM 672 CA ASP A 43 -7.246 8.920 -0.374 1.00 0.00 C ATOM 673 C ASP A 43 -5.949 8.142 -0.136 1.00 0.00 C ATOM 674 O ASP A 43 -4.850 8.647 -0.321 1.00 0.00 O ATOM 675 CB ASP A 43 -7.134 9.750 -1.653 1.00 0.00 C ATOM 676 CG ASP A 43 -8.433 10.526 -1.886 1.00 0.00 C ATOM 677 OD1 ASP A 43 -9.412 10.249 -1.196 1.00 0.00 O ATOM 678 OD2 ASP A 43 -8.447 11.399 -2.752 1.00 0.00 O ATOM 0 H ASP A 43 -6.733 10.386 1.054 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.069 8.214 -0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.296 10.442 -1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.932 9.098 -2.503 1.00 0.00 H new ATOM 683 N PHE A 44 -6.164 6.881 0.280 1.00 0.00 N ATOM 684 CA PHE A 44 -5.013 6.038 0.546 1.00 0.00 C ATOM 685 C PHE A 44 -5.205 4.677 -0.127 1.00 0.00 C ATOM 686 O PHE A 44 -6.158 3.955 0.138 1.00 0.00 O ATOM 687 CB PHE A 44 -4.847 5.850 2.054 1.00 0.00 C ATOM 688 CG PHE A 44 -4.667 7.161 2.760 1.00 0.00 C ATOM 689 CD1 PHE A 44 -3.890 8.213 2.157 1.00 0.00 C ATOM 690 CD2 PHE A 44 -5.272 7.378 4.049 1.00 0.00 C ATOM 691 CE1 PHE A 44 -3.719 9.471 2.834 1.00 0.00 C ATOM 692 CE2 PHE A 44 -5.104 8.635 4.730 1.00 0.00 C ATOM 693 CZ PHE A 44 -4.327 9.681 4.121 1.00 0.00 C ATOM 0 H PHE A 44 -7.077 6.451 0.430 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.119 6.514 0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.721 5.338 2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.986 5.211 2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.433 8.057 1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.855 6.593 4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.135 10.256 2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.560 8.792 5.696 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.200 10.625 4.630 1.00 0.00 H new ATOM 703 N SER A 45 -4.231 4.381 -1.006 1.00 0.00 N ATOM 704 CA SER A 45 -4.284 3.095 -1.675 1.00 0.00 C ATOM 705 C SER A 45 -3.030 2.289 -1.326 1.00 0.00 C ATOM 706 O SER A 45 -1.904 2.747 -1.474 1.00 0.00 O ATOM 707 CB SER A 45 -4.391 3.296 -3.188 1.00 0.00 C ATOM 708 OG SER A 45 -3.288 4.020 -3.672 1.00 0.00 O ATOM 0 H SER A 45 -3.445 4.983 -1.252 1.00 0.00 H new ATOM 0 HA SER A 45 -5.163 2.545 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.443 2.328 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.313 3.827 -3.425 1.00 0.00 H new ATOM 0 HG SER A 45 -3.603 4.761 -4.231 1.00 0.00 H new ATOM 714 N LEU A 46 -3.312 1.066 -0.840 1.00 0.00 N ATOM 715 CA LEU A 46 -2.213 0.226 -0.406 1.00 0.00 C ATOM 716 C LEU A 46 -1.724 -0.631 -1.575 1.00 0.00 C ATOM 717 O LEU A 46 -2.427 -1.498 -2.079 1.00 0.00 O ATOM 718 CB LEU A 46 -2.685 -0.667 0.743 1.00 0.00 C ATOM 719 CG LEU A 46 -1.527 -1.276 1.539 1.00 0.00 C ATOM 720 CD1 LEU A 46 -2.056 -1.951 2.803 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.720 -2.275 0.707 1.00 0.00 C ATOM 0 H LEU A 46 -4.245 0.665 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.388 0.849 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.314 -0.083 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.305 -1.469 0.342 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.856 -0.462 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.224 -2.381 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.567 -1.214 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.755 -2.741 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.091 -2.681 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.371 -3.086 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.304 -1.770 -0.165 1.00 0.00 H new ATOM 733 N SER A 47 -0.473 -0.330 -1.963 1.00 0.00 N ATOM 734 CA SER A 47 0.104 -1.102 -3.045 1.00 0.00 C ATOM 735 C SER A 47 0.982 -2.214 -2.462 1.00 0.00 C ATOM 736 O SER A 47 1.555 -2.083 -1.387 1.00 0.00 O ATOM 737 CB SER A 47 0.918 -0.187 -3.959 1.00 0.00 C ATOM 738 OG SER A 47 0.121 0.865 -4.438 1.00 0.00 O ATOM 0 H SER A 47 0.118 0.399 -1.564 1.00 0.00 H new ATOM 0 HA SER A 47 -0.689 -1.557 -3.638 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.772 0.215 -3.414 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.316 -0.760 -4.796 1.00 0.00 H new ATOM 0 HG SER A 47 0.441 1.141 -5.322 1.00 0.00 H new ATOM 744 N VAL A 48 1.029 -3.317 -3.232 1.00 0.00 N ATOM 745 CA VAL A 48 1.766 -4.463 -2.734 1.00 0.00 C ATOM 746 C VAL A 48 2.535 -5.134 -3.872 1.00 0.00 C ATOM 747 O VAL A 48 2.058 -5.256 -4.994 1.00 0.00 O ATOM 748 CB VAL A 48 0.798 -5.472 -2.115 1.00 0.00 C ATOM 749 CG1 VAL A 48 1.552 -6.700 -1.598 1.00 0.00 C ATOM 750 CG2 VAL A 48 -0.023 -4.828 -0.998 1.00 0.00 C ATOM 0 H VAL A 48 0.590 -3.427 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 48 2.473 -4.121 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 48 0.108 -5.799 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.844 -7.405 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.078 -7.179 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.272 -6.392 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.704 -5.567 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.646 -4.462 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.598 -3.995 -1.403 1.00 0.00 H new ATOM 760 N LYS A 49 3.749 -5.570 -3.494 1.00 0.00 N ATOM 761 CA LYS A 49 4.518 -6.352 -4.441 1.00 0.00 C ATOM 762 C LYS A 49 3.908 -7.751 -4.537 1.00 0.00 C ATOM 763 O LYS A 49 4.172 -8.629 -3.724 1.00 0.00 O ATOM 764 CB LYS A 49 5.971 -6.448 -3.974 1.00 0.00 C ATOM 765 CG LYS A 49 6.769 -7.445 -4.815 1.00 0.00 C ATOM 766 CD LYS A 49 6.957 -6.980 -6.259 1.00 0.00 C ATOM 767 CE LYS A 49 7.496 -8.106 -7.144 1.00 0.00 C ATOM 768 NZ LYS A 49 6.612 -9.266 -7.154 1.00 0.00 N ATOM 0 H LYS A 49 4.189 -5.401 -2.589 1.00 0.00 H new ATOM 0 HA LYS A 49 4.496 -5.874 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.438 -5.465 -4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.998 -6.751 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.746 -7.600 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.259 -8.408 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.005 -6.628 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.645 -6.135 -6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.622 -7.738 -8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.482 -8.405 -6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.482 -9.595 -8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.033 -10.028 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.690 -9.003 -6.751 1.00 0.00 H new ATOM 782 N PHE A 50 3.076 -7.892 -5.584 1.00 0.00 N ATOM 783 CA PHE A 50 2.429 -9.174 -5.776 1.00 0.00 C ATOM 784 C PHE A 50 2.899 -9.776 -7.099 1.00 0.00 C ATOM 785 O PHE A 50 2.571 -9.292 -8.176 1.00 0.00 O ATOM 786 CB PHE A 50 0.912 -8.988 -5.787 1.00 0.00 C ATOM 787 CG PHE A 50 0.202 -10.286 -6.031 1.00 0.00 C ATOM 788 CD1 PHE A 50 0.782 -11.528 -5.590 1.00 0.00 C ATOM 789 CD2 PHE A 50 -1.068 -10.299 -6.712 1.00 0.00 C ATOM 790 CE1 PHE A 50 0.100 -12.774 -5.826 1.00 0.00 C ATOM 791 CE2 PHE A 50 -1.752 -11.542 -6.951 1.00 0.00 C ATOM 792 CZ PHE A 50 -1.166 -12.780 -6.508 1.00 0.00 C ATOM 0 H PHE A 50 2.852 -7.170 -6.269 1.00 0.00 H new ATOM 0 HA PHE A 50 2.691 -9.848 -4.961 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.589 -8.569 -4.834 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.638 -8.271 -6.561 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.734 -11.525 -5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.509 -9.371 -7.045 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.539 -13.702 -5.491 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.704 -11.546 -7.462 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.678 -13.714 -6.688 1.00 0.00 H new ATOM 802 N GLY A 51 3.688 -10.855 -6.929 1.00 0.00 N ATOM 803 CA GLY A 51 4.286 -11.521 -8.073 1.00 0.00 C ATOM 804 C GLY A 51 3.406 -11.415 -9.315 1.00 0.00 C ATOM 805 O GLY A 51 2.184 -11.434 -9.248 1.00 0.00 O ATOM 0 H GLY A 51 3.915 -11.268 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.262 -11.081 -8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.454 -12.571 -7.835 1.00 0.00 H new ATOM 809 N ASN A 52 4.136 -11.279 -10.435 1.00 0.00 N ATOM 810 CA ASN A 52 3.488 -11.055 -11.717 1.00 0.00 C ATOM 811 C ASN A 52 3.146 -9.568 -11.921 1.00 0.00 C ATOM 812 O ASN A 52 3.100 -9.083 -13.043 1.00 0.00 O ATOM 813 CB ASN A 52 2.227 -11.910 -11.860 1.00 0.00 C ATOM 814 CG ASN A 52 1.768 -11.903 -13.319 1.00 0.00 C ATOM 815 OD1 ASN A 52 2.319 -12.585 -14.174 1.00 0.00 O ATOM 816 ND2 ASN A 52 0.718 -11.092 -13.536 1.00 0.00 N ATOM 0 H ASN A 52 5.155 -11.321 -10.470 1.00 0.00 H new ATOM 0 HA ASN A 52 4.196 -11.353 -12.490 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.429 -12.931 -11.536 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.437 -11.522 -11.217 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.321 -11.011 -14.472 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.318 -10.557 -12.765 1.00 0.00 H new ATOM 823 N ASP A 53 2.915 -8.874 -10.786 1.00 0.00 N ATOM 824 CA ASP A 53 2.599 -7.468 -10.945 1.00 0.00 C ATOM 825 C ASP A 53 2.546 -6.774 -9.577 1.00 0.00 C ATOM 826 O ASP A 53 3.257 -7.127 -8.643 1.00 0.00 O ATOM 827 CB ASP A 53 1.279 -7.342 -11.712 1.00 0.00 C ATOM 828 CG ASP A 53 1.123 -5.930 -12.285 1.00 0.00 C ATOM 829 OD1 ASP A 53 2.138 -5.276 -12.518 1.00 0.00 O ATOM 830 OD2 ASP A 53 -0.012 -5.501 -12.486 1.00 0.00 O ATOM 0 H ASP A 53 2.940 -9.237 -9.833 1.00 0.00 H new ATOM 0 HA ASP A 53 3.378 -6.968 -11.520 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.250 -8.074 -12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.444 -7.566 -11.049 1.00 0.00 H new ATOM 835 N VAL A 54 1.660 -5.766 -9.530 1.00 0.00 N ATOM 836 CA VAL A 54 1.514 -5.009 -8.302 1.00 0.00 C ATOM 837 C VAL A 54 0.033 -4.935 -7.920 1.00 0.00 C ATOM 838 O VAL A 54 -0.800 -4.420 -8.656 1.00 0.00 O ATOM 839 CB VAL A 54 2.080 -3.604 -8.507 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.848 -2.740 -7.269 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.568 -3.669 -8.853 1.00 0.00 C ATOM 0 H VAL A 54 1.061 -5.473 -10.302 1.00 0.00 H new ATOM 0 HA VAL A 54 2.060 -5.499 -7.496 1.00 0.00 H new ATOM 0 HB VAL A 54 1.555 -3.143 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.259 -1.745 -7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.778 -2.663 -7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.341 -3.195 -6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.953 -2.659 -8.995 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.110 -4.153 -8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.704 -4.242 -9.771 1.00 0.00 H new ATOM 851 N GLN A 55 -0.230 -5.486 -6.721 1.00 0.00 N ATOM 852 CA GLN A 55 -1.602 -5.483 -6.250 1.00 0.00 C ATOM 853 C GLN A 55 -1.868 -4.208 -5.449 1.00 0.00 C ATOM 854 O GLN A 55 -0.959 -3.534 -4.980 1.00 0.00 O ATOM 855 CB GLN A 55 -1.861 -6.725 -5.399 1.00 0.00 C ATOM 856 CG GLN A 55 -3.281 -6.758 -4.832 1.00 0.00 C ATOM 857 CD GLN A 55 -3.533 -8.084 -4.107 1.00 0.00 C ATOM 858 OE1 GLN A 55 -4.634 -8.620 -4.112 1.00 0.00 O ATOM 859 NE2 GLN A 55 -2.441 -8.578 -3.493 1.00 0.00 N ATOM 0 H GLN A 55 0.456 -5.914 -6.099 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.281 -5.504 -7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.693 -7.617 -6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.144 -6.756 -4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.424 -5.926 -4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.005 -6.633 -5.637 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.558 -8.069 -3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.497 -9.461 -2.985 1.00 0.00 H new ATOM 868 N HIS A 56 -3.177 -3.918 -5.347 1.00 0.00 N ATOM 869 CA HIS A 56 -3.547 -2.673 -4.703 1.00 0.00 C ATOM 870 C HIS A 56 -4.870 -2.828 -3.947 1.00 0.00 C ATOM 871 O HIS A 56 -5.773 -3.544 -4.361 1.00 0.00 O ATOM 872 CB HIS A 56 -3.665 -1.567 -5.754 1.00 0.00 C ATOM 873 CG HIS A 56 -4.783 -1.882 -6.720 1.00 0.00 C ATOM 874 ND1 HIS A 56 -5.168 -3.132 -7.058 1.00 0.00 N ATOM 875 CD2 HIS A 56 -5.592 -0.967 -7.415 1.00 0.00 C ATOM 876 CE1 HIS A 56 -6.180 -2.980 -7.931 1.00 0.00 C ATOM 877 NE2 HIS A 56 -6.458 -1.685 -8.165 1.00 0.00 N ATOM 0 H HIS A 56 -3.946 -4.497 -5.684 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.773 -2.405 -3.984 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.855 -0.611 -5.266 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.724 -1.468 -6.295 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.533 0.110 -7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.708 -3.802 -8.391 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.179 -1.317 -8.785 1.00 0.00 H new ATOM 885 N PHE A 57 -4.910 -2.102 -2.815 1.00 0.00 N ATOM 886 CA PHE A 57 -6.129 -2.113 -2.027 1.00 0.00 C ATOM 887 C PHE A 57 -6.483 -0.682 -1.624 1.00 0.00 C ATOM 888 O PHE A 57 -5.814 -0.065 -0.804 1.00 0.00 O ATOM 889 CB PHE A 57 -5.938 -2.938 -0.752 1.00 0.00 C ATOM 890 CG PHE A 57 -5.443 -4.325 -1.034 1.00 0.00 C ATOM 891 CD1 PHE A 57 -6.216 -5.233 -1.842 1.00 0.00 C ATOM 892 CD2 PHE A 57 -4.183 -4.758 -0.489 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.733 -6.564 -2.103 1.00 0.00 C ATOM 894 CE2 PHE A 57 -3.696 -6.086 -0.749 1.00 0.00 C ATOM 895 CZ PHE A 57 -4.472 -6.989 -1.556 1.00 0.00 C ATOM 0 H PHE A 57 -4.148 -1.531 -2.449 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.925 -2.553 -2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.231 -2.430 -0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.885 -2.996 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.162 -4.914 -2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.600 -4.082 0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.316 -7.242 -2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.749 -6.405 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.108 -7.987 -1.751 1.00 0.00 H new ATOM 905 N LYS A 58 -7.579 -0.198 -2.233 1.00 0.00 N ATOM 906 CA LYS A 58 -7.993 1.134 -1.845 1.00 0.00 C ATOM 907 C LYS A 58 -8.438 1.122 -0.383 1.00 0.00 C ATOM 908 O LYS A 58 -9.423 0.493 -0.014 1.00 0.00 O ATOM 909 CB LYS A 58 -9.136 1.623 -2.734 1.00 0.00 C ATOM 910 CG LYS A 58 -8.707 1.748 -4.195 1.00 0.00 C ATOM 911 CD LYS A 58 -9.804 2.356 -5.066 1.00 0.00 C ATOM 912 CE LYS A 58 -11.058 1.482 -5.102 1.00 0.00 C ATOM 913 NZ LYS A 58 -12.108 2.053 -5.939 1.00 0.00 N ATOM 0 H LYS A 58 -8.145 -0.672 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.150 1.815 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.975 0.931 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.487 2.590 -2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.811 2.366 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.443 0.763 -4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.062 3.345 -4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.428 2.492 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.797 0.492 -5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.436 1.351 -4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.937 1.425 -5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.377 2.987 -5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.759 2.154 -6.913 1.00 0.00 H new ATOM 927 N VAL A 59 -7.654 1.865 0.416 1.00 0.00 N ATOM 928 CA VAL A 59 -8.062 2.009 1.798 1.00 0.00 C ATOM 929 C VAL A 59 -9.174 3.056 1.867 1.00 0.00 C ATOM 930 O VAL A 59 -8.943 4.256 1.787 1.00 0.00 O ATOM 931 CB VAL A 59 -6.869 2.432 2.655 1.00 0.00 C ATOM 932 CG1 VAL A 59 -7.271 2.507 4.127 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.692 1.475 2.462 1.00 0.00 C ATOM 0 H VAL A 59 -6.794 2.341 0.143 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.431 1.058 2.182 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.551 3.424 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.411 2.809 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.072 3.236 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.618 1.529 4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.856 1.797 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.991 0.467 2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.389 1.477 1.415 1.00 0.00 H new ATOM 943 N LEU A 60 -10.396 2.509 1.992 1.00 0.00 N ATOM 944 CA LEU A 60 -11.553 3.364 1.844 1.00 0.00 C ATOM 945 C LEU A 60 -12.033 3.885 3.201 1.00 0.00 C ATOM 946 O LEU A 60 -11.371 3.752 4.223 1.00 0.00 O ATOM 947 CB LEU A 60 -12.669 2.543 1.205 1.00 0.00 C ATOM 948 CG LEU A 60 -12.258 1.955 -0.147 1.00 0.00 C ATOM 949 CD1 LEU A 60 -13.414 1.174 -0.772 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.758 3.038 -1.104 1.00 0.00 C ATOM 0 H LEU A 60 -10.590 1.526 2.186 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.287 4.221 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.953 1.735 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.549 3.172 1.072 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.432 1.267 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.100 0.765 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.704 0.360 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.264 1.840 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.475 2.583 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.550 3.768 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.892 3.537 -0.669 1.00 0.00 H new ATOM 962 N ARG A 61 -13.247 4.462 3.118 1.00 0.00 N ATOM 963 CA ARG A 61 -13.943 4.863 4.325 1.00 0.00 C ATOM 964 C ARG A 61 -13.314 6.141 4.907 1.00 0.00 C ATOM 965 O ARG A 61 -13.259 7.175 4.253 1.00 0.00 O ATOM 966 CB ARG A 61 -13.948 3.681 5.301 1.00 0.00 C ATOM 967 CG ARG A 61 -14.925 3.874 6.461 1.00 0.00 C ATOM 968 CD ARG A 61 -16.362 3.969 5.956 1.00 0.00 C ATOM 969 NE ARG A 61 -17.299 3.930 7.063 1.00 0.00 N ATOM 970 CZ ARG A 61 -17.676 5.080 7.648 1.00 0.00 C ATOM 971 NH1 ARG A 61 -17.186 6.242 7.227 1.00 0.00 N ATOM 972 NH2 ARG A 61 -18.546 5.054 8.655 1.00 0.00 N ATOM 0 H ARG A 61 -13.743 4.651 2.247 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.981 5.118 4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.208 2.771 4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.943 3.540 5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.835 3.042 7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.668 4.780 7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.495 4.893 5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.567 3.147 5.271 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.668 3.039 7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.519 6.265 6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.477 7.111 7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.924 4.164 8.980 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.835 5.924 9.102 1.00 0.00 H new ATOM 1022 N LYS A 66 -13.571 4.935 10.088 1.00 0.00 N ATOM 1023 CA LYS A 66 -12.151 4.672 9.975 1.00 0.00 C ATOM 1024 C LYS A 66 -11.866 3.908 8.680 1.00 0.00 C ATOM 1025 O LYS A 66 -12.701 3.833 7.789 1.00 0.00 O ATOM 1026 CB LYS A 66 -11.659 3.902 11.200 1.00 0.00 C ATOM 1027 CG LYS A 66 -12.113 4.576 12.496 1.00 0.00 C ATOM 1028 CD LYS A 66 -11.394 4.021 13.726 1.00 0.00 C ATOM 1029 CE LYS A 66 -10.074 4.751 13.987 1.00 0.00 C ATOM 1030 NZ LYS A 66 -9.148 4.666 12.866 1.00 0.00 N ATOM 0 HA LYS A 66 -11.608 5.616 9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.037 2.880 11.167 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.571 3.840 11.181 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.933 5.649 12.427 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.188 4.441 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.040 4.115 14.599 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.200 2.958 13.585 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.281 5.799 14.202 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.601 4.331 14.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.178 4.831 13.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.209 3.721 12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.395 5.385 12.157 1.00 0.00 H new ATOM 1044 N TYR A 67 -10.632 3.371 8.623 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.184 2.852 7.341 1.00 0.00 C ATOM 1046 C TYR A 67 -10.452 1.348 7.245 1.00 0.00 C ATOM 1047 O TYR A 67 -10.240 0.601 8.192 1.00 0.00 O ATOM 1048 CB TYR A 67 -8.682 3.106 7.175 1.00 0.00 C ATOM 1049 CG TYR A 67 -8.333 4.559 7.325 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -8.321 5.161 8.633 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -8.007 5.360 6.173 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -7.985 6.551 8.791 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -7.674 6.751 6.327 1.00 0.00 C ATOM 1054 CZ TYR A 67 -7.662 7.346 7.636 1.00 0.00 C ATOM 1055 OH TYR A 67 -7.340 8.679 7.785 1.00 0.00 O ATOM 0 H TYR A 67 -9.975 3.292 9.399 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.736 3.363 6.552 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.133 2.524 7.915 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.362 2.757 6.193 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.566 4.566 9.500 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.013 4.914 5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.975 6.997 9.775 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.433 7.348 5.460 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.147 9.069 6.907 1.00 0.00 H new ATOM 1065 N PHE A 68 -10.909 0.946 6.042 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.025 -0.491 5.845 1.00 0.00 C ATOM 1067 C PHE A 68 -10.603 -0.870 4.421 1.00 0.00 C ATOM 1068 O PHE A 68 -10.708 -0.090 3.483 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.445 -0.988 6.156 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.448 -0.672 5.083 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.421 -1.385 3.831 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -14.457 0.330 5.305 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.394 -1.098 2.810 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -15.433 0.618 4.287 1.00 0.00 C ATOM 1075 CZ PHE A 68 -15.400 -0.097 3.039 1.00 0.00 C ATOM 0 H PHE A 68 -11.180 1.544 5.261 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.351 -0.985 6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.417 -2.067 6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -12.778 -0.543 7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.667 -2.138 3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -14.482 0.869 6.241 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.368 -1.634 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.189 1.370 4.460 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.131 0.118 2.274 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.123 -2.125 4.337 1.00 0.00 N ATOM 1086 CA LEU A 69 -9.744 -2.646 3.036 1.00 0.00 C ATOM 1087 C LEU A 69 -10.946 -3.341 2.390 1.00 0.00 C ATOM 1088 O LEU A 69 -11.680 -2.759 1.600 1.00 0.00 O ATOM 1089 CB LEU A 69 -8.588 -3.636 3.195 1.00 0.00 C ATOM 1090 CG LEU A 69 -7.285 -2.946 3.590 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -6.383 -3.911 4.354 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -6.560 -2.409 2.355 1.00 0.00 C ATOM 0 H LEU A 69 -9.997 -2.763 5.123 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.422 -1.825 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.848 -4.377 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.442 -4.174 2.259 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.528 -2.105 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.458 -3.404 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.893 -4.249 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.153 -4.770 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.634 -1.921 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.330 -3.234 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.198 -1.689 1.843 1.00 0.00 H new ATOM 1104 N TRP A 70 -11.079 -4.628 2.762 1.00 0.00 N ATOM 1105 CA TRP A 70 -12.117 -5.421 2.133 1.00 0.00 C ATOM 1106 C TRP A 70 -13.407 -5.335 2.953 1.00 0.00 C ATOM 1107 O TRP A 70 -14.498 -5.160 2.424 1.00 0.00 O ATOM 1108 CB TRP A 70 -11.670 -6.883 2.035 1.00 0.00 C ATOM 1109 CG TRP A 70 -10.423 -7.016 1.187 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -9.676 -5.975 0.620 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -9.770 -8.244 0.810 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -8.620 -6.476 -0.070 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -8.614 -7.864 0.003 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -10.041 -9.608 1.071 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -7.757 -8.859 -0.525 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -9.170 -10.626 0.536 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -8.028 -10.251 -0.262 1.00 0.00 C ATOM 0 H TRP A 70 -10.508 -5.108 3.458 1.00 0.00 H new ATOM 0 HA TRP A 70 -12.300 -5.032 1.131 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.478 -7.276 3.034 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -12.472 -7.484 1.605 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -9.907 -4.925 0.718 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -7.930 -5.915 -0.570 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -10.897 -9.886 1.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -6.903 -8.577 -1.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.373 -11.668 0.733 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.376 -11.013 -0.663 1.00 0.00 H new ATOM 1128 N VAL A 71 -13.204 -5.471 4.276 1.00 0.00 N ATOM 1129 CA VAL A 71 -14.355 -5.446 5.155 1.00 0.00 C ATOM 1130 C VAL A 71 -13.984 -4.772 6.478 1.00 0.00 C ATOM 1131 O VAL A 71 -14.164 -3.575 6.667 1.00 0.00 O ATOM 1132 CB VAL A 71 -14.849 -6.874 5.398 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -15.996 -6.893 6.409 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -15.273 -7.531 4.083 1.00 0.00 C ATOM 0 H VAL A 71 -12.298 -5.593 4.729 1.00 0.00 H new ATOM 0 HA VAL A 71 -15.156 -4.874 4.688 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.023 -7.450 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -16.328 -7.920 6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.653 -6.476 7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.826 -6.297 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -15.621 -8.545 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -16.078 -6.952 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.423 -7.564 3.402 1.00 0.00 H new ATOM 1144 N VAL A 72 -13.466 -5.625 7.380 1.00 0.00 N ATOM 1145 CA VAL A 72 -13.118 -5.115 8.692 1.00 0.00 C ATOM 1146 C VAL A 72 -12.190 -3.906 8.550 1.00 0.00 C ATOM 1147 O VAL A 72 -11.216 -3.920 7.807 1.00 0.00 O ATOM 1148 CB VAL A 72 -12.440 -6.217 9.505 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -13.364 -7.427 9.645 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -11.109 -6.619 8.871 1.00 0.00 C ATOM 0 H VAL A 72 -13.291 -6.618 7.226 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.022 -4.799 9.212 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.234 -5.828 10.502 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.864 -8.201 10.227 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.281 -7.128 10.152 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.606 -7.816 8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.645 -7.405 9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.284 -6.986 7.860 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.448 -5.753 8.833 1.00 0.00 H new ATOM 1160 N LYS A 73 -12.571 -2.864 9.310 1.00 0.00 N ATOM 1161 CA LYS A 73 -11.792 -1.642 9.245 1.00 0.00 C ATOM 1162 C LYS A 73 -10.570 -1.753 10.154 1.00 0.00 C ATOM 1163 O LYS A 73 -10.165 -2.832 10.570 1.00 0.00 O ATOM 1164 CB LYS A 73 -12.656 -0.463 9.689 1.00 0.00 C ATOM 1165 CG LYS A 73 -13.120 -0.627 11.137 1.00 0.00 C ATOM 1166 CD LYS A 73 -13.973 0.550 11.609 1.00 0.00 C ATOM 1167 CE LYS A 73 -14.462 0.358 13.045 1.00 0.00 C ATOM 1168 NZ LYS A 73 -13.364 0.332 14.004 1.00 0.00 N ATOM 0 H LYS A 73 -13.372 -2.850 9.941 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.459 -1.484 8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.090 0.463 9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.523 -0.378 9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.694 -1.549 11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.250 -0.726 11.786 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.392 1.470 11.543 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.830 0.667 10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.148 1.164 13.304 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.024 -0.573 13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.747 0.336 14.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.798 -0.528 13.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.763 1.169 13.866 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.022 -0.558 10.436 1.00 0.00 N ATOM 1183 CA PHE A 74 -8.853 -0.533 11.291 1.00 0.00 C ATOM 1184 C PHE A 74 -8.776 0.832 11.978 1.00 0.00 C ATOM 1185 O PHE A 74 -9.006 1.872 11.371 1.00 0.00 O ATOM 1186 CB PHE A 74 -7.559 -0.787 10.503 1.00 0.00 C ATOM 1187 CG PHE A 74 -7.659 -1.940 9.542 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -7.423 -3.286 9.996 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -7.999 -1.707 8.161 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -7.523 -4.391 9.080 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.099 -2.810 7.242 1.00 0.00 C ATOM 1192 CZ PHE A 74 -7.860 -4.152 7.702 1.00 0.00 C ATOM 0 H PHE A 74 -10.355 0.346 10.101 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.949 -1.331 12.027 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.297 0.115 9.950 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.747 -0.978 11.205 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.169 -3.467 11.030 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.180 -0.700 7.814 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.345 -5.398 9.426 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.353 -2.630 6.208 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.934 -4.980 7.013 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.448 0.747 13.280 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.322 1.985 14.035 1.00 0.00 C ATOM 1204 C ASN A 75 -7.151 2.872 13.552 1.00 0.00 C ATOM 1205 O ASN A 75 -6.933 3.955 14.083 1.00 0.00 O ATOM 1206 CB ASN A 75 -8.143 1.658 15.517 1.00 0.00 C ATOM 1207 CG ASN A 75 -6.836 0.889 15.725 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -6.034 0.718 14.816 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -6.686 0.439 16.984 1.00 0.00 N ATOM 0 H ASN A 75 -8.276 -0.115 13.798 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.237 2.555 13.874 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.132 2.577 16.103 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.985 1.064 15.872 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.853 -0.090 17.241 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.406 0.627 17.682 1.00 0.00 H new ATOM 1216 N SER A 76 -6.416 2.376 12.535 1.00 0.00 N ATOM 1217 CA SER A 76 -5.303 3.153 12.023 1.00 0.00 C ATOM 1218 C SER A 76 -4.608 2.363 10.914 1.00 0.00 C ATOM 1219 O SER A 76 -4.540 1.141 10.942 1.00 0.00 O ATOM 1220 CB SER A 76 -4.311 3.451 13.148 1.00 0.00 C ATOM 1221 OG SER A 76 -3.809 2.258 13.693 1.00 0.00 O ATOM 0 H SER A 76 -6.574 1.478 12.078 1.00 0.00 H new ATOM 0 HA SER A 76 -5.673 4.097 11.623 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.489 4.056 12.765 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.801 4.035 13.927 1.00 0.00 H new ATOM 0 HG SER A 76 -4.542 1.751 14.101 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.101 3.138 9.939 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.366 2.467 8.882 1.00 0.00 C ATOM 1229 C LEU A 77 -2.365 1.472 9.483 1.00 0.00 C ATOM 1230 O LEU A 77 -2.183 0.368 8.986 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.629 3.492 8.020 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.585 4.485 7.357 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.805 5.521 6.550 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.592 3.757 6.466 1.00 0.00 C ATOM 0 H LEU A 77 -4.182 4.152 9.868 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.073 1.922 8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.914 4.036 8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.057 2.973 7.251 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.137 5.002 8.141 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.501 6.219 6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.132 6.066 7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.225 5.018 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.262 4.483 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.060 3.209 5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.173 3.059 7.069 1.00 0.00 H new ATOM 1246 N ASN A 78 -1.737 1.929 10.583 1.00 0.00 N ATOM 1247 CA ASN A 78 -0.773 1.066 11.242 1.00 0.00 C ATOM 1248 C ASN A 78 -1.410 -0.279 11.613 1.00 0.00 C ATOM 1249 O ASN A 78 -0.785 -1.328 11.515 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.255 1.753 12.504 1.00 0.00 C ATOM 1251 CG ASN A 78 0.397 3.089 12.141 1.00 0.00 C ATOM 1252 OD1 ASN A 78 1.597 3.184 11.918 1.00 0.00 O ATOM 1253 ND2 ASN A 78 -0.479 4.109 12.110 1.00 0.00 N ATOM 0 H ASN A 78 -1.877 2.846 11.008 1.00 0.00 H new ATOM 0 HA ASN A 78 0.053 0.879 10.556 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.076 1.917 13.202 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.468 1.111 13.007 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.157 5.051 11.887 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.465 3.941 12.309 1.00 0.00 H new ATOM 1260 N GLU A 79 -2.684 -0.186 12.039 1.00 0.00 N ATOM 1261 CA GLU A 79 -3.374 -1.424 12.369 1.00 0.00 C ATOM 1262 C GLU A 79 -3.681 -2.264 11.111 1.00 0.00 C ATOM 1263 O GLU A 79 -3.841 -3.476 11.185 1.00 0.00 O ATOM 1264 CB GLU A 79 -4.670 -1.102 13.112 1.00 0.00 C ATOM 1265 CG GLU A 79 -5.402 -2.372 13.550 1.00 0.00 C ATOM 1266 CD GLU A 79 -6.662 -2.006 14.337 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -6.549 -1.736 15.532 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -7.741 -2.003 13.749 1.00 0.00 O ATOM 0 H GLU A 79 -3.218 0.675 12.154 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.717 -2.017 13.006 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.446 -0.491 13.987 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.321 -0.510 12.468 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.669 -2.967 12.677 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.745 -2.986 14.165 1.00 0.00 H new ATOM 1275 N LEU A 80 -3.748 -1.561 9.962 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.956 -2.261 8.712 1.00 0.00 C ATOM 1277 C LEU A 80 -2.678 -3.018 8.345 1.00 0.00 C ATOM 1278 O LEU A 80 -2.688 -4.202 8.034 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.312 -1.230 7.640 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.658 -1.848 6.285 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.502 -0.864 5.477 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -3.404 -2.228 5.493 1.00 0.00 C ATOM 0 H LEU A 80 -3.663 -0.547 9.889 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.768 -2.983 8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.158 -0.637 7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.473 -0.545 7.514 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.222 -2.763 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.749 -1.304 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.421 -0.641 6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.939 0.057 5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.695 -2.663 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.801 -1.337 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.822 -2.954 6.060 1.00 0.00 H new ATOM 1294 N VAL A 81 -1.582 -2.242 8.421 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.280 -2.823 8.151 1.00 0.00 C ATOM 1296 C VAL A 81 0.041 -3.938 9.160 1.00 0.00 C ATOM 1297 O VAL A 81 0.636 -4.954 8.821 1.00 0.00 O ATOM 1298 CB VAL A 81 0.774 -1.717 8.222 1.00 0.00 C ATOM 1299 CG1 VAL A 81 2.186 -2.277 8.062 1.00 0.00 C ATOM 1300 CG2 VAL A 81 0.494 -0.646 7.168 1.00 0.00 C ATOM 0 H VAL A 81 -1.580 -1.250 8.659 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.281 -3.269 7.156 1.00 0.00 H new ATOM 0 HB VAL A 81 0.713 -1.260 9.210 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.909 -1.463 8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.385 -2.994 8.858 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.273 -2.774 7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.253 0.134 7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.519 -1.097 6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.490 -0.211 7.344 1.00 0.00 H new ATOM 1310 N ASP A 82 -0.393 -3.686 10.409 1.00 0.00 N ATOM 1311 CA ASP A 82 -0.149 -4.673 11.445 1.00 0.00 C ATOM 1312 C ASP A 82 -1.087 -5.878 11.289 1.00 0.00 C ATOM 1313 O ASP A 82 -0.703 -7.019 11.512 1.00 0.00 O ATOM 1314 CB ASP A 82 -0.354 -4.026 12.817 1.00 0.00 C ATOM 1315 CG ASP A 82 0.630 -2.869 12.998 1.00 0.00 C ATOM 1316 OD1 ASP A 82 1.577 -2.776 12.219 1.00 0.00 O ATOM 1317 OD2 ASP A 82 0.437 -2.072 13.914 1.00 0.00 O ATOM 0 H ASP A 82 -0.890 -2.846 10.704 1.00 0.00 H new ATOM 0 HA ASP A 82 0.877 -5.030 11.354 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.377 -3.662 12.908 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.207 -4.766 13.604 1.00 0.00 H new ATOM 1322 N TYR A 83 -2.332 -5.553 10.895 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.303 -6.621 10.756 1.00 0.00 C ATOM 1324 C TYR A 83 -2.868 -7.573 9.640 1.00 0.00 C ATOM 1325 O TYR A 83 -2.777 -8.782 9.821 1.00 0.00 O ATOM 1326 CB TYR A 83 -4.680 -6.035 10.443 1.00 0.00 C ATOM 1327 CG TYR A 83 -5.724 -7.109 10.368 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -5.913 -7.855 9.150 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -6.547 -7.400 11.514 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -6.915 -8.885 9.078 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -7.551 -8.429 11.444 1.00 0.00 C ATOM 1332 CZ TYR A 83 -7.735 -9.172 10.226 1.00 0.00 C ATOM 1333 OH TYR A 83 -8.696 -10.158 10.158 1.00 0.00 O ATOM 0 H TYR A 83 -2.664 -4.613 10.681 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.362 -7.177 11.692 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.953 -5.312 11.212 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.642 -5.495 9.497 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.300 -7.640 8.287 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.410 -6.844 12.430 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.052 -9.443 8.163 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.166 -8.643 12.306 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.159 -10.224 11.019 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.600 -6.942 8.483 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.158 -7.746 7.359 1.00 0.00 C ATOM 1345 C HIS A 84 -0.638 -7.947 7.405 1.00 0.00 C ATOM 1346 O HIS A 84 0.048 -7.902 6.391 1.00 0.00 O ATOM 1347 CB HIS A 84 -2.561 -7.070 6.048 1.00 0.00 C ATOM 1348 CG HIS A 84 -4.066 -6.991 5.974 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -4.844 -7.949 5.423 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -4.897 -5.961 6.446 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -6.109 -7.513 5.556 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -6.172 -6.318 6.169 1.00 0.00 N ATOM 0 H HIS A 84 -2.678 -5.939 8.316 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.636 -8.724 7.419 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.129 -6.071 5.992 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -2.172 -7.633 5.200 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -4.535 -8.822 4.995 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.578 -5.054 6.938 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.974 -8.059 5.210 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.163 -8.174 8.643 1.00 0.00 N ATOM 1361 CA ARG A 85 1.256 -8.436 8.798 1.00 0.00 C ATOM 1362 C ARG A 85 1.610 -9.842 8.290 1.00 0.00 C ATOM 1363 O ARG A 85 2.664 -10.062 7.707 1.00 0.00 O ATOM 1364 CB ARG A 85 1.643 -8.293 10.270 1.00 0.00 C ATOM 1365 CG ARG A 85 3.140 -8.514 10.492 1.00 0.00 C ATOM 1366 CD ARG A 85 3.525 -8.361 11.965 1.00 0.00 C ATOM 1367 NE ARG A 85 4.949 -8.575 12.133 1.00 0.00 N ATOM 1368 CZ ARG A 85 5.553 -8.078 13.228 1.00 0.00 C ATOM 1369 NH1 ARG A 85 4.851 -7.402 14.134 1.00 0.00 N ATOM 1370 NH2 ARG A 85 6.858 -8.264 13.407 1.00 0.00 N ATOM 0 H ARG A 85 -0.715 -8.180 9.500 1.00 0.00 H new ATOM 0 HA ARG A 85 1.814 -7.712 8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.367 -7.299 10.623 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.078 -9.011 10.865 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.416 -9.510 10.146 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.706 -7.801 9.893 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.255 -7.366 12.318 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.968 -9.076 12.571 1.00 0.00 H new ATOM 0 HE ARG A 85 5.483 -9.092 11.435 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.850 -7.258 14.000 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.314 -7.027 14.962 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.399 -8.783 12.715 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.318 -7.888 14.236 1.00 0.00 H new ATOM 1384 N SER A 86 0.669 -10.773 8.545 1.00 0.00 N ATOM 1385 CA SER A 86 0.923 -12.139 8.120 1.00 0.00 C ATOM 1386 C SER A 86 -0.319 -12.786 7.477 1.00 0.00 C ATOM 1387 O SER A 86 -0.203 -13.684 6.651 1.00 0.00 O ATOM 1388 CB SER A 86 1.376 -12.969 9.321 1.00 0.00 C ATOM 1389 OG SER A 86 2.524 -12.410 9.906 1.00 0.00 O ATOM 0 H SER A 86 -0.220 -10.608 9.016 1.00 0.00 H new ATOM 0 HA SER A 86 1.707 -12.113 7.363 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.574 -13.020 10.058 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.584 -13.991 9.005 1.00 0.00 H new ATOM 0 HG SER A 86 2.798 -12.954 10.674 1.00 0.00 H new ATOM 1395 N THR A 87 -1.500 -12.291 7.896 1.00 0.00 N ATOM 1396 CA THR A 87 -2.718 -12.899 7.384 1.00 0.00 C ATOM 1397 C THR A 87 -2.947 -12.580 5.895 1.00 0.00 C ATOM 1398 O THR A 87 -4.077 -12.573 5.419 1.00 0.00 O ATOM 1399 CB THR A 87 -3.912 -12.412 8.205 1.00 0.00 C ATOM 1400 OG1 THR A 87 -5.075 -13.071 7.773 1.00 0.00 O ATOM 1401 CG2 THR A 87 -4.107 -10.901 8.075 1.00 0.00 C ATOM 0 H THR A 87 -1.625 -11.517 8.549 1.00 0.00 H new ATOM 0 HA THR A 87 -2.612 -13.980 7.473 1.00 0.00 H new ATOM 0 HB THR A 87 -3.715 -12.638 9.253 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.073 -13.130 6.795 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.965 -10.592 8.672 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.214 -10.387 8.430 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.282 -10.645 7.030 1.00 0.00 H new ATOM 1409 N SER A 88 -1.828 -12.325 5.188 1.00 0.00 N ATOM 1410 CA SER A 88 -1.951 -12.070 3.765 1.00 0.00 C ATOM 1411 C SER A 88 -3.138 -11.141 3.494 1.00 0.00 C ATOM 1412 O SER A 88 -3.699 -10.524 4.391 1.00 0.00 O ATOM 1413 CB SER A 88 -2.146 -13.394 3.026 1.00 0.00 C ATOM 1414 OG SER A 88 -3.308 -14.043 3.474 1.00 0.00 O ATOM 0 H SER A 88 -0.881 -12.293 5.566 1.00 0.00 H new ATOM 0 HA SER A 88 -1.042 -11.586 3.409 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.215 -13.211 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.280 -14.036 3.185 1.00 0.00 H new ATOM 0 HG SER A 88 -3.845 -13.421 4.007 1.00 0.00 H new ATOM 1420 N VAL A 89 -3.475 -11.099 2.191 1.00 0.00 N ATOM 1421 CA VAL A 89 -4.598 -10.274 1.781 1.00 0.00 C ATOM 1422 C VAL A 89 -4.817 -10.409 0.268 1.00 0.00 C ATOM 1423 O VAL A 89 -5.043 -9.435 -0.440 1.00 0.00 O ATOM 1424 CB VAL A 89 -4.330 -8.812 2.145 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -3.139 -8.271 1.352 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -5.573 -7.950 1.921 1.00 0.00 C ATOM 0 H VAL A 89 -3.003 -11.606 1.443 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.496 -10.608 2.300 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.084 -8.767 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.963 -7.230 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.251 -8.861 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.352 -8.336 0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.352 -6.917 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.866 -7.999 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.389 -8.319 2.543 1.00 0.00 H new ATOM 1436 N SER A 90 -4.725 -11.675 -0.178 1.00 0.00 N ATOM 1437 CA SER A 90 -4.895 -11.911 -1.598 1.00 0.00 C ATOM 1438 C SER A 90 -4.872 -13.414 -1.869 1.00 0.00 C ATOM 1439 O SER A 90 -3.822 -14.034 -1.979 1.00 0.00 O ATOM 1440 CB SER A 90 -3.761 -11.236 -2.368 1.00 0.00 C ATOM 1441 OG SER A 90 -3.948 -11.374 -3.753 1.00 0.00 O ATOM 0 H SER A 90 -4.544 -12.499 0.396 1.00 0.00 H new ATOM 0 HA SER A 90 -5.849 -11.497 -1.923 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.716 -10.179 -2.106 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.807 -11.677 -2.080 1.00 0.00 H new ATOM 0 HG SER A 90 -4.329 -10.547 -4.116 1.00 0.00 H new ATOM 1502 N GLN A 94 0.798 -16.562 -0.010 1.00 0.00 N ATOM 1503 CA GLN A 94 2.029 -15.842 0.262 1.00 0.00 C ATOM 1504 C GLN A 94 1.836 -14.336 0.053 1.00 0.00 C ATOM 1505 O GLN A 94 2.026 -13.805 -1.034 1.00 0.00 O ATOM 1506 CB GLN A 94 3.137 -16.381 -0.646 1.00 0.00 C ATOM 1507 CG GLN A 94 4.510 -15.775 -0.337 1.00 0.00 C ATOM 1508 CD GLN A 94 4.535 -14.287 -0.691 1.00 0.00 C ATOM 1509 OE1 GLN A 94 4.219 -13.880 -1.802 1.00 0.00 O ATOM 1510 NE2 GLN A 94 4.933 -13.510 0.332 1.00 0.00 N ATOM 0 HA GLN A 94 2.313 -15.995 1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.192 -17.464 -0.540 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.880 -16.175 -1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.742 -15.907 0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.281 -16.301 -0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.179 -13.932 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.989 -12.499 0.212 1.00 0.00 H new ATOM 1519 N ILE A 95 1.475 -13.690 1.177 1.00 0.00 N ATOM 1520 CA ILE A 95 1.409 -12.239 1.155 1.00 0.00 C ATOM 1521 C ILE A 95 1.743 -11.700 2.549 1.00 0.00 C ATOM 1522 O ILE A 95 1.084 -12.007 3.535 1.00 0.00 O ATOM 1523 CB ILE A 95 0.016 -11.751 0.750 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -0.451 -12.361 -0.572 1.00 0.00 C ATOM 1525 CG2 ILE A 95 -0.012 -10.223 0.672 1.00 0.00 C ATOM 1526 CD1 ILE A 95 0.253 -11.732 -1.775 1.00 0.00 C ATOM 0 H ILE A 95 1.237 -14.133 2.065 1.00 0.00 H new ATOM 0 HA ILE A 95 2.127 -11.874 0.421 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.679 -12.084 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.262 -13.434 -0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.528 -12.228 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.009 -9.892 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.241 -9.804 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.712 -9.883 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.110 -12.196 -2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.043 -10.663 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.328 -11.888 -1.690 1.00 0.00 H new ATOM 1538 N PHE A 96 2.805 -10.878 2.556 1.00 0.00 N ATOM 1539 CA PHE A 96 3.198 -10.268 3.812 1.00 0.00 C ATOM 1540 C PHE A 96 3.579 -8.811 3.556 1.00 0.00 C ATOM 1541 O PHE A 96 4.220 -8.484 2.566 1.00 0.00 O ATOM 1542 CB PHE A 96 4.387 -11.025 4.406 1.00 0.00 C ATOM 1543 CG PHE A 96 4.048 -12.462 4.665 1.00 0.00 C ATOM 1544 CD1 PHE A 96 4.105 -13.426 3.596 1.00 0.00 C ATOM 1545 CD2 PHE A 96 3.665 -12.891 5.986 1.00 0.00 C ATOM 1546 CE1 PHE A 96 3.780 -14.806 3.842 1.00 0.00 C ATOM 1547 CE2 PHE A 96 3.340 -14.271 6.237 1.00 0.00 C ATOM 1548 CZ PHE A 96 3.398 -15.228 5.163 1.00 0.00 C ATOM 0 H PHE A 96 3.374 -10.636 1.745 1.00 0.00 H new ATOM 0 HA PHE A 96 2.370 -10.310 4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.235 -10.967 3.723 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.695 -10.549 5.337 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.393 -13.111 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 96 3.621 -12.174 6.792 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.823 -15.524 3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.053 -14.588 7.229 1.00 0.00 H new ATOM 0 HZ PHE A 96 3.155 -16.264 5.349 1.00 0.00 H new ATOM 1558 N LEU A 97 3.150 -7.954 4.497 1.00 0.00 N ATOM 1559 CA LEU A 97 3.414 -6.554 4.236 1.00 0.00 C ATOM 1560 C LEU A 97 4.776 -6.187 4.819 1.00 0.00 C ATOM 1561 O LEU A 97 4.922 -5.847 5.987 1.00 0.00 O ATOM 1562 CB LEU A 97 2.318 -5.679 4.847 1.00 0.00 C ATOM 1563 CG LEU A 97 0.942 -5.951 4.237 1.00 0.00 C ATOM 1564 CD1 LEU A 97 -0.110 -5.031 4.860 1.00 0.00 C ATOM 1565 CD2 LEU A 97 0.970 -5.772 2.718 1.00 0.00 C ATOM 0 H LEU A 97 2.664 -8.185 5.364 1.00 0.00 H new ATOM 0 HA LEU A 97 3.421 -6.381 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.276 -5.853 5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.574 -4.629 4.704 1.00 0.00 H new ATOM 0 HG LEU A 97 0.676 -6.986 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.083 -5.237 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.157 -5.208 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.160 -3.991 4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.021 -5.971 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.263 -4.750 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.688 -6.467 2.283 1.00 0.00 H new ATOM 1577 N ARG A 98 5.754 -6.288 3.902 1.00 0.00 N ATOM 1578 CA ARG A 98 7.121 -6.016 4.303 1.00 0.00 C ATOM 1579 C ARG A 98 7.458 -4.547 4.042 1.00 0.00 C ATOM 1580 O ARG A 98 7.117 -3.973 3.014 1.00 0.00 O ATOM 1581 CB ARG A 98 8.076 -6.922 3.526 1.00 0.00 C ATOM 1582 CG ARG A 98 7.791 -8.403 3.780 1.00 0.00 C ATOM 1583 CD ARG A 98 8.726 -9.309 2.977 1.00 0.00 C ATOM 1584 NE ARG A 98 10.107 -9.034 3.325 1.00 0.00 N ATOM 1585 CZ ARG A 98 10.584 -9.495 4.496 1.00 0.00 C ATOM 1586 NH1 ARG A 98 9.799 -10.191 5.314 1.00 0.00 N ATOM 1587 NH2 ARG A 98 11.846 -9.252 4.838 1.00 0.00 N ATOM 0 H ARG A 98 5.622 -6.545 2.924 1.00 0.00 H new ATOM 0 HA ARG A 98 7.230 -6.217 5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.988 -6.713 2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.103 -6.696 3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.902 -8.617 4.843 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.757 -8.624 3.517 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.493 -10.355 3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.573 -9.148 1.910 1.00 0.00 H new ATOM 0 HE ARG A 98 10.706 -8.501 2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.830 -10.378 5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.166 -10.538 6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.450 -8.717 4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.210 -9.600 5.725 1.00 0.00 H new ATOM 1601 N ASP A 99 8.148 -3.991 5.055 1.00 0.00 N ATOM 1602 CA ASP A 99 8.560 -2.609 4.924 1.00 0.00 C ATOM 1603 C ASP A 99 9.222 -2.404 3.561 1.00 0.00 C ATOM 1604 O ASP A 99 10.236 -3.008 3.233 1.00 0.00 O ATOM 1605 CB ASP A 99 9.536 -2.251 6.046 1.00 0.00 C ATOM 1606 CG ASP A 99 8.867 -2.467 7.405 1.00 0.00 C ATOM 1607 OD1 ASP A 99 8.150 -1.575 7.855 1.00 0.00 O ATOM 1608 OD2 ASP A 99 9.074 -3.524 7.999 1.00 0.00 O ATOM 0 H ASP A 99 8.414 -4.458 5.922 1.00 0.00 H new ATOM 0 HA ASP A 99 7.688 -1.959 4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.433 -2.866 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.852 -1.213 5.947 1.00 0.00 H new ATOM 1613 N ILE A 100 8.570 -1.512 2.795 1.00 0.00 N ATOM 1614 CA ILE A 100 9.074 -1.230 1.463 1.00 0.00 C ATOM 1615 C ILE A 100 10.387 -0.424 1.496 1.00 0.00 C ATOM 1616 O ILE A 100 10.700 0.323 0.577 1.00 0.00 O ATOM 1617 CB ILE A 100 7.994 -0.445 0.728 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.253 -0.381 -0.774 1.00 0.00 C ATOM 1619 CG2 ILE A 100 7.876 0.952 1.329 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.159 0.404 -1.492 1.00 0.00 C ATOM 0 H ILE A 100 7.731 -1.000 3.069 1.00 0.00 H new ATOM 0 HA ILE A 100 9.300 -2.168 0.956 1.00 0.00 H new ATOM 0 HB ILE A 100 7.047 -0.969 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.220 0.087 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.305 -1.391 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.103 1.511 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.611 0.873 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.829 1.471 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.372 0.431 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.196 -0.079 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.126 1.421 -1.102 1.00 0.00 H new ATOM 1632 N GLU A 101 11.125 -0.606 2.607 1.00 0.00 N ATOM 1633 CA GLU A 101 12.342 0.158 2.770 1.00 0.00 C ATOM 1634 C GLU A 101 13.336 -0.656 3.599 1.00 0.00 C ATOM 1635 O GLU A 101 13.125 -0.937 4.772 1.00 0.00 O ATOM 1636 CB GLU A 101 11.993 1.476 3.457 1.00 0.00 C ATOM 1637 CG GLU A 101 11.407 2.492 2.476 1.00 0.00 C ATOM 1638 CD GLU A 101 12.429 2.809 1.384 1.00 0.00 C ATOM 1639 OE1 GLU A 101 13.626 2.723 1.656 1.00 0.00 O ATOM 1640 OE2 GLU A 101 12.018 3.132 0.271 1.00 0.00 O ATOM 0 H GLU A 101 10.901 -1.250 3.366 1.00 0.00 H new ATOM 0 HA GLU A 101 12.802 0.374 1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.277 1.290 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.888 1.892 3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.495 2.095 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.132 3.405 3.005 1.00 0.00 H new